UCSF

ZINC03504097

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 26 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) 4.54 7.51 -8.62 1 5 0 53 370.474 8
Lo Low (pH 4.5-6) 4.54 7.89 -29.44 2 5 1 54 371.482 8

Activity (Go SEA)

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