UCSF

ZINC70149948

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2011 20 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) 1.71 6.85 -93.66 4 4 2 49 274.412 4
Hi High (pH 8-9.5) 1.71 6.13 -42.27 3 4 1 48 273.404 4
Lo Low (pH 4.5-6) 1.71 7.76 -105.17 4 4 2 49 274.412 4

Activity (Go SEA)

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