UCSF

ZINC36986707

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 13 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) 0.56 4.59 -35.07 1 3 1 31 182.291 3
Mid Mid (pH 6-8) 0.56 2.21 -6.65 0 3 0 30 181.283 3

Activity (Go SEA)

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