UCSF

ZINC37856257

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) 2.46 -0.08 -42.55 1 5 -1 82 315.421 4
Hi High (pH 8-9.5) 2.46 -0.03 -101.24 0 5 -2 84 314.413 4
Mid Mid (pH 6-8) 2.00 2.1 -41.13 1 5 -1 81 315.421 4
Mid Mid (pH 6-8) 2.00 1.96 -11.62 2 5 0 79 316.429 4

Activity (Go SEA)

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