UCSF

ZINC34820582

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 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) 1.31 5.51 -40.51 2 5 1 49 292.403 5
Hi High (pH 8-9.5) 1.31 4.29 -11.47 1 5 0 45 291.395 5
Mid Mid (pH 6-8) 1.31 7.86 -88.45 3 5 2 51 293.411 5

Activity (Go SEA)

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