UCSF

ZINC06257628

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 19 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) -0.16 3.18 -56.03 3 5 1 71 257.317 6
Lo Low (pH 4.5-6) -0.16 3.46 -116.17 4 5 2 73 258.325 6

Activity (Go SEA)

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