UCSF

ZINC16741410

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 38 No

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) 4.13 10.8 -17.22 1 8 0 98 516.594 12
Mid Mid (pH 6-8) 3.55 11.46 -24.73 0 8 0 95 516.594 12
Lo Low (pH 4.5-6) 4.58 10.76 -63.18 2 8 1 99 517.602 11
Lo Low (pH 4.5-6) 3.55 11.74 -66.57 1 8 1 96 517.602 12

Activity (Go SEA)

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