UCSF

ZINC22062008

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 37 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 4.59 13.29 -58.88 2 6 1 68 514.685 8
Hi High (pH 8-9.5) 4.59 11.06 -17.11 1 6 0 67 513.677 8

Activity (Go SEA)

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