UCSF

ZINC12032561

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 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) 5.00 9.32 -11.1 1 6 0 91 339.376 3
Mid Mid (pH 6-8) 4.51 9.18 -40.46 0 6 -1 90 338.368 4

Activity (Go SEA)

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