UCSF

ZINC45697927

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 16 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) 1.37 7.31 -95.24 3 4 2 47 232.368 9
Mid Mid (pH 6-8) 1.37 5.99 -36.3 2 4 1 43 231.36 9

Activity (Go SEA)

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