UCSF

ZINC37856245

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 2.85 0.08 -42.5 1 5 -1 82 297.381 3
Hi High (pH 8-9.5) 2.85 0.18 -102.05 0 5 -2 84 296.373 3
Mid Mid (pH 6-8) 2.39 2.42 -41.26 1 5 -1 81 297.381 3
Mid Mid (pH 6-8) 2.39 2.38 -11.17 2 5 0 79 298.389 3

Activity (Go SEA)

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