UCSF

ZINC15837340

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 21 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) 2.04 3.45 -10.26 1 5 0 51 292.379 5
Mid Mid (pH 6-8) 2.04 5.72 -46.04 2 5 1 52 293.387 5

Activity (Go SEA)

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