UCSF

ZINC49408688

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 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) 1.41 6.7 -13.73 0 6 0 57 384.505 4
Lo Low (pH 4.5-6) 1.41 8.92 -40.47 1 6 1 58 385.513 4

Activity (Go SEA)

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