UCSF

ZINC37828004

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.34 6.84 -48.75 0 5 -1 64 309.411 7
Mid Mid (pH 6-8) 1.34 9.06 -75.8 1 5 0 65 310.419 7

Activity (Go SEA)

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