UCSF

ZINC39510312

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 22 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) 0.72 2.74 -33.42 3 4 1 48 305.442 3
Lo Low (pH 4.5-6) 0.72 4.98 -106.66 4 4 2 49 306.45 3

Activity (Go SEA)

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