UCSF

ZINC23127516

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 27 No

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) 2.19 8.09 -44.39 3 5 1 63 390.504 7
Hi High (pH 8-9.5) 2.19 5.8 -8.66 2 5 0 61 389.496 7

Activity (Go SEA)

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