UCSF

ZINC44133115

Substance Information

In ZINC since Heavy atoms Benign functionality
May 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) 2.34 6.4 -34.8 2 3 1 28 289.443 2
Lo Low (pH 4.5-6) 2.34 8.38 -99.02 3 3 2 29 290.451 2

Activity (Go SEA)

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