UCSF

ZINC36975871

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 0.52 3.56 -56.38 2 6 -1 101 502.022 2
Mid Mid (pH 6-8) 0.52 4.52 -118.93 1 6 -2 104 501.014 2

Activity (Go SEA)

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