UCSF

ZINC32603332

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) -0.20 0.97 -41.44 3 5 0 86 211.217 5
Hi High (pH 8-9.5) -0.20 1.75 -60.17 2 5 -1 89 210.209 5

Activity (Go SEA)

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