UCSF

ZINC34427587

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 13 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) 0.16 2.05 -39.2 3 4 1 55 187.263 5
Mid Mid (pH 6-8) 0.16 3.39 -107.56 4 4 2 60 188.271 5
Mid Mid (pH 6-8) 0.16 0.86 -4.73 2 4 0 50 186.255 5
Mid Mid (pH 6-8) 0.16 2.21 -42.12 3 4 1 55 187.263 5

Activity (Go SEA)

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