UCSF

ZINC42555442

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 15 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) 1.94 6.19 -106.28 4 2 2 32 212.381 6
Hi High (pH 8-9.5) 1.94 5.84 -25.52 3 2 1 30 211.373 6
Mid Mid (pH 6-8) 1.94 5.06 -38.34 3 2 1 31 211.373 6

Activity (Go SEA)

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