UCSF

ZINC33985808

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 18 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) 4.32 9.37 -10.44 0 1 0 13 229.282 0
Mid Mid (pH 6-8) 4.32 9.74 -25.78 1 1 1 14 230.29 0

Activity (Go SEA)

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