UCSF

ZINC41752199

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 21 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) 1.89 8.79 -43.79 1 3 -1 52 300.3 4
Lo Low (pH 4.5-6) 1.89 6.96 -4.85 2 3 0 49 301.308 4

Activity (Go SEA)

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