UCSF

ZINC36786957

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.68 6.11 -136.68 4 4 2 51 300.83 5
Mid Mid (pH 6-8) 2.68 4.46 -53.13 3 4 1 49 299.822 5

Activity (Go SEA)

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