UCSF

ZINC40524760

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 17 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) -1.69 5.48 -54.24 1 6 0 68 241.291 1
Mid Mid (pH 6-8) -1.69 3.12 -49.07 0 6 -1 67 240.283 1

Activity (Go SEA)

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