UCSF

ZINC34830559

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 36 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) 3.16 12.9 -17.56 0 7 0 70 515.651 9
Mid Mid (pH 6-8) 3.16 14.7 -60.17 1 7 1 71 516.659 9

Activity (Go SEA)

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