UCSF

ZINC42581951

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 1.28 5.31 -114.65 4 4 2 51 270.417 4
Hi High (pH 8-9.5) 1.28 5.07 -29.28 3 4 1 49 269.409 4
Mid Mid (pH 6-8) 1.28 3.45 -39.18 3 4 1 49 269.409 4

Activity (Go SEA)

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