UCSF

ZINC45370851

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) 8.08 16.37 -27.75 2 7 1 75 516.662 10
Mid Mid (pH 6-8) 8.08 16.91 -39.87 2 7 1 79 516.662 10
Mid Mid (pH 6-8) 8.08 17 -21.21 1 7 0 74 515.654 10
Lo Low (pH 4.5-6) 8.08 16.81 -84.03 3 7 2 80 517.67 10

Activity (Go SEA)

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