UCSF

ZINC61994782

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 18 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) 2.30 5.73 -41.41 2 3 1 29 249.378 8
Mid Mid (pH 6-8) 2.30 6.81 -33.9 2 3 1 26 249.378 8
Mid Mid (pH 6-8) 2.30 8.18 -114.51 3 3 2 30 250.386 8

Activity (Go SEA)

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