UCSF

ZINC42467995

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.76 1.84 -35.52 3 4 1 49 245.387 9
Hi High (pH 8-9.5) 0.76 0.41 -3.02 2 4 0 45 244.379 9
Mid Mid (pH 6-8) 0.76 4.48 -36.85 3 4 1 53 245.387 9

Activity (Go SEA)

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