UCSF

ZINC45162952

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 24 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) 2.31 5.19 -13.86 2 5 0 57 329.444 8
Mid Mid (pH 6-8) 2.31 7.47 -49.04 3 5 1 59 330.452 8

Activity (Go SEA)

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