UCSF

ZINC36923597

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) 1.98 7.91 -46.41 2 6 1 83 294.375 7
Mid Mid (pH 6-8) 1.98 6.95 -10.08 1 6 0 78 293.367 7

Activity (Go SEA)

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