UCSF

ZINC36798161

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) -0.01 -1.62 -33.49 5 5 1 74 252.338 4
Mid Mid (pH 6-8) -0.01 -3.99 -6.99 4 5 0 73 251.33 4

Activity (Go SEA)

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