UCSF

ZINC04756991

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 28 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) 2.99 -3.28 -55.89 2 6 1 70 422.958 5
Hi High (pH 8-9.5) 2.99 -2.69 -79.41 1 6 0 72 421.95 5

Activity (Go SEA)

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