UCSF

ZINC00780314

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 28 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) 3.89 6.11 -17.97 2 6 0 77 376.412 5
Lo Low (pH 4.5-6) 3.89 6.88 -33.47 3 6 1 78 377.42 5

Activity (Go SEA)

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