UCSF

ZINC42823342

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 1.10 2.06 -42.76 4 4 1 66 229.344 6
Mid Mid (pH 6-8) 1.10 1.76 -5.73 3 4 0 64 228.336 6

Activity (Go SEA)

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