UCSF

ZINC34854380

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 26 No

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) 5.13 9.73 -8.04 0 4 0 38 367.88 3
Mid Mid (pH 6-8) 5.13 12.03 -44.07 1 4 1 39 368.888 3
Mid Mid (pH 6-8) 5.13 11.77 -45.11 1 4 1 39 368.888 3

Activity (Go SEA)

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