UCSF

ZINC34682323

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 3.14 9.1 -44.32 3 7 1 79 463.549 8
Lo Low (pH 4.5-6) 3.14 9.45 -102.05 4 7 2 80 464.557 8

Activity (Go SEA)

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