UCSF

ZINC34992181

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 4.25 8.71 -40.09 2 2 1 26 321.238 5
Mid Mid (pH 6-8) 4.25 7.7 -4.91 1 2 0 21 320.23 5

Activity (Go SEA)

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