UCSF

ZINC37839540

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 0.96 9.02 -52.82 1 4 1 42 255.382 5
Hi High (pH 8-9.5) 0.97 7.97 -69.35 1 4 0 48 254.374 5

Activity (Go SEA)

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