UCSF

ZINC41565552

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 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) 1.31 6.05 -14.07 0 5 0 52 284.315 4
Lo Low (pH 4.5-6) 1.31 6.51 -42.08 1 5 1 53 285.323 4

Activity (Go SEA)

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