UCSF

ZINC43239567

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 3.10 9.21 -114.96 4 2 2 32 290.476 5
Hi High (pH 8-9.5) 3.10 7.53 -2.98 2 2 0 29 288.46 5
Mid Mid (pH 6-8) 3.10 7.41 -42.27 3 2 1 31 289.468 5

Activity (Go SEA)

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