UCSF

ZINC31718848

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 25 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) 2.22 2.02 -17.55 3 7 0 95 340.383 5
Mid Mid (pH 6-8) 2.22 2.28 -52.57 4 7 1 96 341.391 5

Activity (Go SEA)

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