UCSF

ZINC17138544

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 28 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) 0.30 2.5 -52.89 2 9 -1 129 378.368 6
Ref Reference (pH 7) 0.30 2.37 -51.61 2 9 -1 129 378.368 6
Mid Mid (pH 6-8) -0.15 5.02 -16.97 3 9 0 126 379.376 6

Activity (Go SEA)

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