UCSF

ZINC01305261

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 30 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) 2.17 3.17 -51.9 0 9 -1 112 411.39 6
Lo Low (pH 4.5-6) 1.72 4.95 -13.69 1 9 0 109 412.398 6

Activity (Go SEA)

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