UCSF

ZINC53130904

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 1.80 6.21 -42.81 3 2 1 41 249.284 4
Hi High (pH 8-9.5) 1.80 5.96 -5.96 2 2 0 39 248.276 4
Lo Low (pH 4.5-6) 1.80 6.68 -105.53 4 2 2 42 250.292 4

Activity (Go SEA)

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