UCSF

ZINC43968293

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 4.18 10.02 -112.19 3 2 2 21 254.462 6
Hi High (pH 8-9.5) 4.18 8.96 -34.02 2 2 1 16 253.454 6
Hi High (pH 8-9.5) 4.18 8.02 -34.2 2 2 1 20 253.454 6

Activity (Go SEA)

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