UCSF

ZINC41513501

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 26 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) 2.84 10.17 -41.09 2 6 1 81 360.43 7
Hi High (pH 8-9.5) 2.84 10.94 -24.03 1 6 0 84 359.422 7

Activity (Go SEA)

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