UCSF

ZINC13127586

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 25 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) 3.84 10.37 -16.36 0 6 0 65 333.395 4
Mid Mid (pH 6-8) 3.84 11.37 -31.14 2 6 1 70 334.403 4
Mid Mid (pH 6-8) 3.84 10.68 -39.76 1 6 1 67 334.403 4

Activity (Go SEA)

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