UCSF

ZINC01068178

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 28 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) 2.95 3.89 -11.61 3 7 0 106 376.347 2
Lo Low (pH 4.5-6) 2.95 4.1 -63.62 4 7 1 108 377.355 2

Activity (Go SEA)

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