UCSF

ZINC69418224

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2011 23 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) 1.36 5.12 -50.19 1 6 1 59 316.429 6
Mid Mid (pH 6-8) 1.36 2.84 -9.46 0 6 0 58 315.421 6
Mid Mid (pH 6-8) 1.36 5.07 -43.3 1 6 1 59 316.429 6

Activity (Go SEA)

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