UCSF

ZINC61992509

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 17 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) 1.90 5.03 -35.47 2 3 1 29 235.351 7
Mid Mid (pH 6-8) 1.90 7.32 -107.92 3 3 2 30 236.359 7
Mid Mid (pH 6-8) 1.90 5.94 -32.4 2 3 1 26 235.351 7

Activity (Go SEA)

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