UCSF

ZINC34526975

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 24 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) 4.40 7.3 -42.87 1 5 -1 73 358.83 5
Mid Mid (pH 6-8) 4.40 7.5 -25.61 2 5 0 74 359.838 5
Mid Mid (pH 6-8) 4.40 7.37 -10.45 2 5 0 71 359.838 5

Activity (Go SEA)

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