UCSF

ZINC36996396

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.15 9.65 -75.8 3 3 2 21 295.515 5
Hi High (pH 8-9.5) 3.15 7.42 -33.04 2 3 1 20 294.507 5
Lo Low (pH 4.5-6) 3.15 10.74 -185.48 4 3 3 25 296.523 5

Activity (Go SEA)

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