UCSF

ZINC35430230

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 22 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) 1.63 8.04 -19.14 0 5 0 55 317.414 1
Mid Mid (pH 6-8) 1.63 8.52 -47.96 1 5 1 56 318.422 1

Activity (Go SEA)

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