UCSF

ZINC01032939

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 25 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) 3.66 7.95 -19.51 1 5 0 64 371.487 4
Hi High (pH 8-9.5) 3.66 8.02 -56.49 0 5 -1 66 370.479 4
Hi High (pH 8-9.5) 3.66 8.46 -55.89 1 5 0 67 371.487 4
Mid Mid (pH 6-8) 3.66 8.39 -38.12 2 5 1 65 372.495 4

Activity (Go SEA)

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