UCSF

ZINC34963050

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) 1.37 5.91 -55.26 6 6 1 95 271.348 3
Hi High (pH 8-9.5) 1.37 5.61 -7.66 5 6 0 93 270.34 3
Mid Mid (pH 6-8) 1.37 5.56 -90.15 7 6 2 96 272.356 3

Activity (Go SEA)

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