UCSF

ZINC36667706

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 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) 0.81 5.25 -36.18 1 4 1 34 215.317 6
Hi High (pH 8-9.5) 0.81 2.98 -4.73 0 4 0 33 214.309 6
Mid Mid (pH 6-8) 0.81 5.24 -37.92 1 4 1 34 215.317 6

Activity (Go SEA)

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