UCSF

ZINC00593585

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 33 No

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) 2.20 0.16 -29.24 0 8 0 87 441.491 5
Lo Low (pH 4.5-6) 2.20 0.35 -60.4 1 8 1 88 442.499 5

Activity (Go SEA)

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