UCSF

ZINC44132398

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 0.41 -0.34 -6.12 1 5 0 51 257.33 1
Mid Mid (pH 6-8) 0.41 1.76 -31.01 2 5 1 52 258.338 1

Activity (Go SEA)

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