UCSF

ZINC37838115

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) -0.12 2.41 -47.73 0 7 -1 90 319.403 6
Mid Mid (pH 6-8) -0.12 4.35 -75.28 1 7 0 91 320.411 6

Activity (Go SEA)

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