UCSF

ZINC09529119

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 26 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) 3.72 -1.58 -12.09 1 5 0 56 370.474 8
Mid Mid (pH 6-8) 3.72 -1.34 -31.8 2 5 1 57 371.482 8

Activity (Go SEA)

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