UCSF

ZINC23249321

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 26 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) 1.71 5.5 -43.29 2 7 1 68 360.434 7
Hi High (pH 8-9.5) 1.71 2.99 -15.92 1 7 0 67 359.426 7

Activity (Go SEA)

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