UCSF

ZINC34632831

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2009 14 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) 2.00 7.79 -24.69 1 2 1 8 195.33 0
Mid Mid (pH 6-8) 2.00 7.74 -27.31 1 2 1 8 195.33 0
Mid Mid (pH 6-8) 2.00 8.17 -95.36 2 2 2 9 196.338 0

Activity (Go SEA)

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