UCSF

ZINC19688562

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 15 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) -0.91 -1.61 -57.57 3 5 1 68 236.361 4
Mid Mid (pH 6-8) -0.91 0.59 -104.42 4 5 2 69 237.369 4

Activity (Go SEA)

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