UCSF

ZINC04551233

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 23 No

Download: MOL2 SDF SMILES Flexibase

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) 5.13 8.59 -8.8 2 4 0 58 388.29 4
Hi High (pH 8-9.5) 5.13 9.36 -41.74 1 4 -1 60 387.282 4
Lo Low (pH 4.5-6) 5.13 8.93 -29.33 3 4 1 59 389.298 4

Activity (Go SEA)

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