UCSF

ZINC34648076

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 27 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) 1.22 5.97 -36.73 3 6 1 81 363.441 3
Mid Mid (pH 6-8) 1.22 5.63 -16.21 2 6 0 79 362.433 3

Activity (Go SEA)

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