UCSF

ZINC08792170

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 36 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) 3.77 -2.3 -22.2 3 8 0 115 476.492 5
Lo Low (pH 4.5-6) 3.77 -2.13 -53.19 4 8 1 117 477.5 5

Activity (Go SEA)

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