UCSF

ZINC56871251

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -4.85 -6.23 -308.25 5 19 -4 304 555.286 8
Mid Mid (pH 6-8) -5.53 -5.68 -267.6 6 19 -3 305 556.294 8
Lo Low (pH 4.5-6) -5.53 -7.99 -90.89 8 19 -1 299 558.31 8

Vendor Notes

Note Type Comments Provided By
UniProt Database Links HIS21_BRADU; HIS21_RHOPA; HIS22_BRADU; HIS22_RHOPA; HIS2_ACIAC; HIS2_ACICJ; HIS2_ACISJ; HIS2_AGRRK; HIS2_AGRT5; HIS2_AGRVS; HIS2_ALCBS; HIS2_ALKEH; HIS2_AQUAE; HIS2_ARATH; HIS2_AROAE; HIS2_ARTAT; HIS2_ARTCA; HIS2_ARTS2; HIS2_AZOBR; HIS2_AZOC5; HIS2_AZOCH ChEBI

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.