UCSF

ZINC36986825

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 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) 1.40 7.23 -41.55 3 2 1 30 235.376 3
Mid Mid (pH 6-8) 1.40 5.24 -8.5 2 2 0 29 234.368 3

Activity (Go SEA)

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