UCSF

ZINC29909332

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 25 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) 3.67 10.38 -55.41 2 3 1 34 345.413 5
Mid Mid (pH 6-8) 3.67 8.24 -12.43 1 3 0 32 344.405 5

Activity (Go SEA)

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