UCSF

ZINC34993533

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) 2.58 8.6 -110.32 3 3 2 30 262.397 8
Mid Mid (pH 6-8) 2.58 6.15 -34.97 2 3 1 29 261.389 8
Mid Mid (pH 6-8) 2.58 7.22 -32.01 2 3 1 26 261.389 8

Activity (Go SEA)

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