UCSF

ZINC12733953

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 27 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) 1.54 4.96 -14.62 1 8 0 82 371.393 4
Hi High (pH 8-9.5) 1.61 2.65 -10.25 1 8 0 86 371.393 4
Mid Mid (pH 6-8) 1.54 5.31 -42.57 2 8 1 83 372.401 4

Activity (Go SEA)

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