UCSF

ZINC34936233

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 16 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) 0.80 5.42 -114.9 4 3 2 35 221.348 3
Mid Mid (pH 6-8) 0.80 3.38 -42.19 3 3 1 34 220.34 3
Mid Mid (pH 6-8) 0.80 5.06 -34.72 3 3 1 34 220.34 3

Activity (Go SEA)

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