UCSF

ZINC42779647

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 13 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) 2.43 5.5 -97.06 3 2 2 21 188.359 6
Hi High (pH 8-9.5) 2.43 4.06 -30.74 2 2 1 16 187.351 6
Mid Mid (pH 6-8) 2.43 4.41 -35.68 2 2 1 20 187.351 6

Activity (Go SEA)

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