UCSF

ZINC33789516

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 33 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) 7.22 16.34 -27.97 2 5 1 57 448.631 8
Mid Mid (pH 6-8) 7.22 16.03 -17.88 1 5 0 56 447.623 8
Mid Mid (pH 6-8) 7.22 16.56 -44.99 2 5 1 60 448.631 8
Lo Low (pH 4.5-6) 7.22 16.87 -95.97 3 5 2 61 449.639 8

Activity (Go SEA)

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