UCSF

ZINC34627963

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) 0.08 6.63 -207.59 0 6 -3 120 227.192 3
Mid Mid (pH 6-8) 0.08 4.68 -108.52 1 6 -2 118 228.2 3
Mid Mid (pH 6-8) 0.08 4.58 -112.7 1 6 -2 118 228.2 3

Activity (Go SEA)

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