UCSF

ZINC41362625

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 21 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) 2.36 6.4 -43.98 2 4 1 37 355.3 6
Hi High (pH 8-9.5) 2.36 4.14 -10.38 1 4 0 36 354.292 6
Mid Mid (pH 6-8) 2.36 6.51 -41.03 2 4 1 37 355.3 6

Activity (Go SEA)

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