UCSF

ZINC43896389

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.50 6.59 -100.22 3 2 2 21 188.359 7
Hi High (pH 8-9.5) 2.50 5.48 -29.31 2 2 1 16 187.351 7
Mid Mid (pH 6-8) 2.50 4.62 -34.57 2 2 1 20 187.351 7

Activity (Go SEA)

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