UCSF

ZINC62052355

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 16 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) 0.55 3.46 -6.63 3 4 0 64 214.272 3
Mid Mid (pH 6-8) 0.55 3.82 -31.71 4 4 1 65 215.28 3
Lo Low (pH 4.5-6) 0.55 4.26 -80.58 5 4 2 66 216.288 3

Activity (Go SEA)

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