UCSF

ZINC06780638

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 27 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) 4.10 9.48 -12.34 2 4 0 58 373.481 5
Lo Low (pH 4.5-6) 4.10 9.76 -45.81 3 4 1 59 374.489 5

Activity (Go SEA)

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