UCSF

ZINC44724880

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 14 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) -0.99 1.95 -93.97 5 4 2 61 199.298 4
Hi High (pH 8-9.5) -0.99 -0.49 -47.42 4 4 1 60 198.29 4

Activity (Go SEA)

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