UCSF

ZINC43247658

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 1.09 1.69 -28.51 5 4 1 74 268.406 4
Hi High (pH 8-9.5) 1.09 -0.09 -7.78 4 4 0 72 267.398 4
Hi High (pH 8-9.5) 0.84 0.26 -25.5 4 4 0 77 267.398 4
Mid Mid (pH 6-8) 1.09 0.21 -41.37 5 4 1 74 268.406 4
Lo Low (pH 4.5-6) 1.09 1.99 -100.09 6 4 2 75 269.414 4

Activity (Go SEA)

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