UCSF

ZINC41653921

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) -0.12 1.02 -48.51 4 6 1 80 243.331 3
Hi High (pH 8-9.5) -0.12 0.68 -11.64 3 6 0 79 242.323 3

Activity (Go SEA)

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