UCSF

ZINC06400168

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 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) 5.10 -1.34 -9.52 3 4 0 68 383.423 3
Lo Low (pH 4.5-6) 5.10 -1.28 -37.74 4 4 1 69 384.431 3

Activity (Go SEA)

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