UCSF

ZINC45664345

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 Yes

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) 3.02 9.08 -93.67 3 2 2 21 254.443 8
Hi High (pH 8-9.5) 3.02 7.88 -34.13 2 2 1 16 253.435 8

Activity (Go SEA)

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