UCSF

ZINC44472213

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2010 16 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) 1.89 6.43 -113.4 3 3 2 30 224.348 6
Hi High (pH 8-9.5) 1.89 5.28 -33.49 2 3 1 26 223.34 6
Mid Mid (pH 6-8) 1.89 4.5 -33.76 2 3 1 29 223.34 6

Activity (Go SEA)

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