UCSF

ZINC00734545

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 27 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) 2.54 8.25 -15.24 1 6 0 73 358.401 6
Lo Low (pH 4.5-6) 2.54 8.52 -43.67 2 6 1 74 359.409 6

Activity (Go SEA)

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