UCSF

ZINC43896144

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 17 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) 4.44 9.2 -105.31 3 2 2 21 244.467 9
Hi High (pH 8-9.5) 4.44 8.53 -30.83 2 2 1 20 243.459 9
Mid Mid (pH 6-8) 4.44 8.21 -30.98 2 2 1 16 243.459 9

Activity (Go SEA)

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