UCSF

ZINC13683847

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 21 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) 4.04 11.33 -10.61 1 2 0 17 298.455 6
Ref Reference (pH 7) 4.00 12.38 -10.44 1 2 0 15 298.455 7

Activity (Go SEA)

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