UCSF

ZINC30288591

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2009 21 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) 1.76 2.77 -12.25 1 6 0 85 391.268 6
Hi High (pH 8-9.5) 1.76 2.36 -40.72 0 6 -1 87 390.26 6
Lo Low (pH 4.5-6) 1.76 3.2 -47.85 2 6 1 87 392.276 6

Activity (Go SEA)

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