UCSF

ZINC33478062

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 35 No

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) -2.68 7.53 -35.15 3 10 1 119 474.545 6
Mid Mid (pH 6-8) -2.68 9.86 -88.56 4 10 2 120 475.553 6
Lo Low (pH 4.5-6) -2.68 10.3 -154.03 5 10 3 121 476.561 6

Activity (Go SEA)

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