UCSF

ZINC37184121

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) -0.18 -0.29 -48.89 4 5 1 66 215.321 4
Hi High (pH 8-9.5) -0.18 -1.49 -9.33 3 5 0 62 214.313 4
Mid Mid (pH 6-8) -0.18 2.19 -122.77 5 5 2 67 216.329 4
Mid Mid (pH 6-8) -0.18 0.98 -42.64 4 5 1 63 215.321 4

Activity (Go SEA)

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