UCSF

ZINC00617387

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 17 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) 2.94 5.13 -7.9 4 4 0 78 246.339 3
Lo Low (pH 4.5-6) 2.94 5.41 -30.1 5 4 1 79 247.347 3
Lo Low (pH 4.5-6) 2.94 5.71 -98.17 6 4 2 80 248.355 3

Activity (Go SEA)

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