UCSF

ZINC52340291

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 3.74 6.75 -36.23 2 2 1 20 239.427 5
Hi High (pH 8-9.5) 3.74 5.56 -0.21 1 2 0 15 238.419 5
Mid Mid (pH 6-8) 3.74 7.65 -31.24 2 2 1 16 239.427 5

Activity (Go SEA)

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