UCSF

ZINC37241029

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) 2.39 5.26 -30.05 2 2 1 16 185.335 5
Hi High (pH 8-9.5) 2.39 3.12 -0.83 1 2 0 15 184.327 5
Lo Low (pH 4.5-6) 2.39 4.32 -34.5 2 2 1 20 185.335 5
Lo Low (pH 4.5-6) 2.39 6.46 -104.68 3 2 2 21 186.343 5

Activity (Go SEA)

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