UCSF

ZINC04243472

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 13 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) 0.18 1.9 -11.56 2 5 0 78 175.195 0
Lo Low (pH 4.5-6) 0.18 2.2 -28.2 3 5 1 79 176.203 0
Lo Low (pH 4.5-6) 0.18 -2.06 -31.68 3 5 1 79 176.203 0

Activity (Go SEA)

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