UCSF

ZINC36804669

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 17 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) 1.26 5.97 -33.06 2 4 1 34 257.789 5
Hi High (pH 8-9.5) 1.26 4.19 -4.46 1 4 0 33 256.781 5
Lo Low (pH 4.5-6) 1.26 7.35 -119.09 3 4 2 39 258.797 5
Lo Low (pH 4.5-6) 1.26 6.43 -83.97 3 4 2 36 258.797 5

Activity (Go SEA)

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