UCSF

ZINC09487871

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2007 24 No

Download: MOL2 SDF SMILES Flexibase

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) 2.04 5.69 -19.92 0 5 0 67 370.471 4
Lo Low (pH 4.5-6) 2.04 5.68 -48.12 1 5 1 68 371.479 4
Lo Low (pH 4.5-6) 2.04 6.67 -51.41 1 5 1 68 371.479 4
Lo Low (pH 4.5-6) 2.04 6.01 -49.21 1 5 1 68 371.479 4

Activity (Go SEA)

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