UCSF

ZINC43479421

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 4.47 5.89 -10.74 2 3 0 45 319.191 3
Hi High (pH 8-9.5) 4.47 6.66 -42.15 1 3 -1 48 318.183 3
Lo Low (pH 4.5-6) 4.47 6.28 -33.48 3 3 1 46 320.199 3

Activity (Go SEA)

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