UCSF

ZINC53119049

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 16 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) 1.64 2.15 -7.85 2 4 0 59 229.32 5
Mid Mid (pH 6-8) 1.64 3.05 -30.7 3 4 1 63 230.328 5

Activity (Go SEA)

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