UCSF

ZINC35633337

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 20 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 4.67 -78.23 2 6 0 91 292.364 5
Mid Mid (pH 6-8) 1.00 5.01 -52.6 3 6 1 89 293.372 5

Activity (Go SEA)

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