UCSF

ZINC26402222

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 24 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) 4.23 6.51 -126.11 4 4 2 52 369.292 4
Hi High (pH 8-9.5) 4.23 3.91 -6.5 2 4 0 43 367.276 4
Mid Mid (pH 6-8) 4.23 6.34 -40.25 3 4 1 47 368.284 4
Mid Mid (pH 6-8) 4.23 5.17 -40.91 3 4 1 47 368.284 4

Activity (Go SEA)

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