UCSF

ZINC08019007

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2006 22 Yes

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) 2.16 5.48 -24.34 1 6 0 81 296.282 3
Lo Low (pH 4.5-6) 2.16 6.2 -52.73 2 6 1 83 297.29 3

Activity (Go SEA)

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