UCSF

ZINC60707560

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 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) 1.78 6.12 -55.51 3 2 1 41 249.284 4
Hi High (pH 8-9.5) 1.78 5.8 -9.93 2 2 0 39 248.276 4
Lo Low (pH 4.5-6) 1.78 6.58 -109.55 4 2 2 42 250.292 4

Activity (Go SEA)

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