UCSF

ZINC34682313

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 2.70 8.73 -44.39 3 7 1 79 449.522 8
Lo Low (pH 4.5-6) 2.70 9.07 -102.01 4 7 2 80 450.53 8

Activity (Go SEA)

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