UCSF

ZINC42579846

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 20 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) 3.32 7.34 -112.79 4 3 2 41 345.325 7
Hi High (pH 8-9.5) 3.32 7.23 -25.98 3 3 1 40 344.317 7
Mid Mid (pH 6-8) 3.32 5.88 -43.75 3 3 1 40 344.317 7

Activity (Go SEA)

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