UCSF

ZINC40175699

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 22 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) 2.74 7.35 -8.26 1 6 0 78 302.33 7
Mid Mid (pH 6-8) 2.74 7.77 -33.01 2 6 1 79 303.338 7

Activity (Go SEA)

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