UCSF

ZINC37864082

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 20 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) 3.00 4.29 -6.5 2 3 0 41 291.778 6
Mid Mid (pH 6-8) 3.00 5.74 -42.84 3 3 1 46 292.786 6

Activity (Go SEA)

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