UCSF

ZINC29579656

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 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) 3.60 5.5 -13.47 2 4 0 62 327.203 2
Hi High (pH 8-9.5) 3.12 5.66 -119.86 0 4 -2 71 325.187 2
Mid Mid (pH 6-8) 4.53 5.96 -52.22 1 4 -1 68 326.195 1

Activity (Go SEA)

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