UCSF

ZINC04330120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 38 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) 6.43 12.08 -15.18 2 9 0 115 558.418 12
Hi High (pH 8-9.5) 6.61 11.3 -51.18 1 9 -1 122 557.41 12

Activity (Go SEA)

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