UCSF

ZINC37080626

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 1.79 3.89 -39.64 3 2 1 31 197.346 4
Mid Mid (pH 6-8) 1.79 5.97 -27.09 3 2 1 30 197.346 4
Mid Mid (pH 6-8) 1.79 5.98 -115.5 4 2 2 32 198.354 4

Activity (Go SEA)

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