UCSF

ZINC43704709

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 19 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) -0.31 1.81 -49.95 1 7 -1 95 267.261 5
Mid Mid (pH 6-8) -0.31 4.01 -50.99 2 7 0 96 268.269 5

Activity (Go SEA)

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