UCSF

ZINC09152420

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 33 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) 6.16 14.96 -37.38 2 5 0 71 505.412 9
Mid Mid (pH 6-8) 6.16 13.58 -55.24 1 5 -1 66 504.404 9

Activity (Go SEA)

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