UCSF

ZINC35717467

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 15 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) 0.95 4.12 -40.96 3 3 1 48 227.353 4
Hi High (pH 8-9.5) 0.95 3.84 -7.35 2 3 0 46 226.345 4

Activity (Go SEA)

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