UCSF

ZINC33816985

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 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) 2.13 5.36 -39.83 2 4 0 66 262.696 3
Mid Mid (pH 6-8) 2.13 3.84 -12.54 2 4 0 62 262.696 3
Mid Mid (pH 6-8) 2.13 4.87 -48.87 1 4 -1 65 261.688 3

Activity (Go SEA)

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