UCSF

ZINC41707826

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 18 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) 1.09 5.11 -37.39 0 6 -1 75 244.278 2
Lo Low (pH 4.5-6) 1.09 5.11 -14.09 1 6 0 76 245.286 2

Activity (Go SEA)

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