UCSF

ZINC44088279

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 1.00 6.7 -51.96 2 5 1 54 322.454 3
Mid Mid (pH 6-8) 1.00 4.6 -17.39 1 5 0 53 321.446 3

Activity (Go SEA)

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