UCSF

ZINC12081074

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2008 18 No

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) 1.99 2.42 -9.88 2 5 0 67 309.536 2
Hi High (pH 8-9.5) 2.17 0.89 -32.36 1 5 -1 74 308.528 2

Activity (Go SEA)

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