UCSF

ZINC21808500

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) -1.88 -0.18 -61.52 4 5 1 85 285.389 3
Hi High (pH 8-9.5) -1.88 -0.47 -11.88 3 5 0 84 284.381 3

Activity (Go SEA)

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