UCSF

ZINC21819691

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 3.32 9.04 -145.93 4 2 0 32 294.458 4
Hi High (pH 8-9.5) 3.32 8.75 -23.08 3 2 0 30 293.45 4
Mid Mid (pH 6-8) 3.32 8.95 -50.25 3 2 1 31 293.45 4

Activity (Go SEA)

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