UCSF

ZINC45703425

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) 1.30 7.63 -33.96 2 4 1 37 256.414 9
Lo Low (pH 4.5-6) 1.30 7.63 -111.41 3 4 2 41 257.422 9

Activity (Go SEA)

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