UCSF

ZINC42451965

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.35 4.6 -48.51 0 6 -1 78 250.278 3
Mid Mid (pH 6-8) 1.35 4.75 -34.3 1 6 0 80 251.286 3

Activity (Go SEA)

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