UCSF

ZINC17014331

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 24 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) 2.31 4.5 -56.99 1 5 -1 78 326.303 4
Mid Mid (pH 6-8) 2.31 4.81 -12.63 2 5 0 76 327.311 4
Mid Mid (pH 6-8) 1.72 5.19 -11.53 1 5 0 72 327.311 4

Activity (Go SEA)

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