UCSF

ZINC43425197

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.34 3.51 -1.69 2 3 0 38 252.402 1
Mid Mid (pH 6-8) 2.34 5.67 -31.44 3 3 1 40 253.41 1
Mid Mid (pH 6-8) 2.34 5.36 -112.94 4 3 2 41 254.418 1

Activity (Go SEA)

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