UCSF

ZINC00493582

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 18 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) 3.42 4.39 -8.3 1 3 0 42 241.29 4
Ref Reference (pH 7) 3.42 5.17 -7.28 1 3 0 42 241.29 4
Lo Low (pH 4.5-6) 3.42 4.82 -38.66 2 3 1 43 242.298 4
Lo Low (pH 4.5-6) 3.42 5.52 -35.47 2 3 1 43 242.298 4

Activity (Go SEA)

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