UCSF

ZINC42776765

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 3.48 5.87 -9.86 0 3 0 30 303.324 7
Mid Mid (pH 6-8) 3.48 7.93 -37.1 1 3 1 31 304.332 7

Activity (Go SEA)

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