UCSF

ZINC29609729

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 27 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) 3.05 10.1 -19.04 1 6 0 64 359.433 5
Mid Mid (pH 6-8) 3.05 10.54 -37.41 2 6 1 65 360.441 5

Activity (Go SEA)

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