UCSF

ZINC33815787

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 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) 3.28 10.24 -46.46 0 3 -1 45 236.25 2
Lo Low (pH 4.5-6) -1.03 9.97 -37.2 0 3 0 44 237.258 2

Activity (Go SEA)

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