UCSF

ZINC37240809

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 13 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) 2.57 5.63 -31.98 2 2 1 16 185.335 6
Hi High (pH 8-9.5) 2.57 3.25 -0.59 1 2 0 15 184.327 6
Lo Low (pH 4.5-6) 2.57 4.41 -35.12 2 2 1 20 185.335 6
Lo Low (pH 4.5-6) 2.57 6.77 -105.06 3 2 2 21 186.343 6

Activity (Go SEA)

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