UCSF

ZINC41586562

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 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) 5.10 13.68 -44.73 2 8 1 111 510.95 6
Hi High (pH 8-9.5) 5.10 14.44 -29.2 1 8 0 114 509.942 6
Hi High (pH 8-9.5) 5.10 11.43 -15.41 1 8 0 110 509.942 6

Activity (Go SEA)

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