UCSF

ZINC31666576

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 28 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) 4.52 5.92 -42.1 1 6 -1 94 435.934 6
Mid Mid (pH 6-8) 4.52 5.85 -17.44 2 6 0 92 436.942 6

Activity (Go SEA)

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