UCSF

ZINC34972731

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 1.76 5.61 -50.28 0 6 -1 92 272.284 3
Lo Low (pH 4.5-6) 1.76 6.07 -64.83 1 6 0 93 273.292 3

Activity (Go SEA)

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