UCSF

ZINC42450529

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.73 5.01 -11.44 0 3 0 51 205.305 4
Mid Mid (pH 6-8) 1.73 7.28 -51.22 1 3 1 52 206.313 4

Activity (Go SEA)

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