UCSF

ZINC33128541

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 32 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) 2.96 7.19 -21.39 2 6 0 71 439.531 8
Mid Mid (pH 6-8) 2.96 9.52 -58.48 3 6 1 72 440.539 8

Activity (Go SEA)

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