UCSF

ZINC13989359

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 29 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) 3.95 9.39 -8.09 0 5 0 44 390.483 8
Lo Low (pH 4.5-6) 3.95 12 -104.47 2 5 2 46 392.499 8

Activity (Go SEA)

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