UCSF

ZINC36826821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 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) 1.48 3.56 -43.76 3 3 1 40 239.383 1
Hi High (pH 8-9.5) 1.48 2.83 -1.37 2 3 0 38 238.375 1
Mid Mid (pH 6-8) 1.48 5.26 -116.75 4 3 2 41 240.391 1

Activity (Go SEA)

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