UCSF

ZINC00524222

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 22 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) 5.39 9.91 -8.14 0 2 0 22 291.325 4
Ref Reference (pH 7) 5.39 10.76 -6.94 0 2 0 22 291.325 4
Lo Low (pH 4.5-6) 5.39 10.34 -44.3 1 2 1 23 292.333 4
Lo Low (pH 4.5-6) 5.39 11.12 -41.55 1 2 1 23 292.333 4

Activity (Go SEA)

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