UCSF

ZINC34535210

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) -0.82 1.69 -7.95 2 5 0 71 209.201 3
Mid Mid (pH 6-8) -0.82 2.01 -50.12 3 5 1 72 210.209 3

Activity (Go SEA)

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