UCSF

ZINC23040836

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 25 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) 2.59 6.25 -18.03 2 7 0 91 362.455 3
Hi High (pH 8-9.5) 2.40 5.16 -53.49 1 7 -1 98 361.447 3

Activity (Go SEA)

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