UCSF

ZINC37032551

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.17 2.38 -49.78 5 5 1 86 280.323 4
Hi High (pH 8-9.5) 1.17 2.05 -11.23 4 5 0 84 279.315 4

Activity (Go SEA)

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