UCSF

ZINC65331632

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 28 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) 4.29 6.94 -11.23 2 7 0 81 441.285 5
Lo Low (pH 4.5-6) 4.29 7.29 -38.52 3 7 1 82 442.293 5

Activity (Go SEA)

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