UCSF

ZINC37827051

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.67 -1.49 -47.1 4 6 1 80 241.315 4
Hi High (pH 8-9.5) -1.67 -1.9 -8.78 3 6 0 79 240.307 4
Mid Mid (pH 6-8) -1.67 0.85 -92.18 5 6 2 81 242.323 4

Activity (Go SEA)

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