UCSF

ZINC22787018

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 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) 0.81 1.35 -32.19 2 3 1 28 187.307 4
Hi High (pH 8-9.5) 0.81 -0.64 -4.28 1 3 0 27 186.299 4

Activity (Go SEA)

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