UCSF

ZINC36876241

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 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) 1.23 3.51 -94.43 5 3 2 58 183.299 4
Mid Mid (pH 6-8) 1.23 3.1 -45.3 4 3 1 56 182.291 4
Mid Mid (pH 6-8) 1.23 3.26 -45.13 4 3 1 56 182.291 4

Activity (Go SEA)

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