UCSF

ZINC34527541

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 24 No

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) 1.98 5.49 -11.8 2 6 0 84 324.336 5
Mid Mid (pH 6-8) 2.44 2.66 -45.81 1 6 -1 87 323.328 5

Activity (Go SEA)

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