UCSF

ZINC33769021

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 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) 1.98 5.83 -49.16 2 10 -1 134 522.578 12
Mid Mid (pH 6-8) 1.98 8.17 -61.47 3 10 0 136 523.586 12
Lo Low (pH 4.5-6) 1.98 7.04 -68.77 4 10 1 133 524.594 12

Activity (Go SEA)

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