UCSF

ZINC37080665

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 2.28 7.68 -128.12 4 2 2 32 242.366 4
Mid Mid (pH 6-8) 2.28 5.94 -45.85 3 2 1 31 241.358 4
Mid Mid (pH 6-8) 2.28 8.39 -30.84 3 2 1 30 241.358 4

Activity (Go SEA)

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