UCSF

ZINC08792355

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 38 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) 5.26 -1.74 -23.97 2 7 0 88 500.558 6
Lo Low (pH 4.5-6) 5.26 -1.58 -55.16 3 7 1 89 501.566 6

Activity (Go SEA)

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