UCSF

ZINC39964049

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 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) 2.76 11.72 -15.29 1 8 0 80 447.539 7
Mid Mid (pH 6-8) 2.76 13.98 -46.12 2 8 1 81 448.547 7
Mid Mid (pH 6-8) 2.76 12.18 -38.87 2 8 1 81 448.547 7
Lo Low (pH 4.5-6) 2.76 14.45 -98.74 3 8 2 82 449.555 7

Activity (Go SEA)

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