UCSF

ZINC45364018

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 38 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) 8.00 15.73 -26.14 2 7 1 75 516.662 10
Mid Mid (pH 6-8) 8.00 16.23 -20.48 1 7 0 74 515.654 10
Mid Mid (pH 6-8) 8.00 16.15 -39.11 2 7 1 79 516.662 10
Lo Low (pH 4.5-6) 8.00 16.06 -81.31 3 7 2 80 517.67 10

Activity (Go SEA)

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