UCSF

ZINC08764629

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 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) 3.61 -2.84 -20.22 2 7 0 92 441.487 7
Lo Low (pH 4.5-6) 3.61 -2.67 -52.99 3 7 1 94 442.495 7

Activity (Go SEA)

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