UCSF

ZINC01584931

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.35 4.31 -14.29 3 7 0 99 279.344 6
Lo Low (pH 4.5-6) 1.35 4.56 -37.23 4 7 1 100 280.352 6
Lo Low (pH 4.5-6) 1.35 0.15 -32.6 4 7 1 100 280.352 6

Activity (Go SEA)

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