UCSF

ZINC35738388

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) -0.56 3.18 -102.36 4 4 2 54 213.325 1
Hi High (pH 8-9.5) -0.56 2.03 -49.57 3 4 1 49 212.317 1

Activity (Go SEA)

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