UCSF

ZINC36305123

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 16 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) 0.08 2.5 -99.98 4 4 2 45 229.368 3
Hi High (pH 8-9.5) 0.08 0.23 -43.65 3 4 1 43 228.36 3
Mid Mid (pH 6-8) 0.08 1.71 -31.73 3 4 1 43 228.36 3
Mid Mid (pH 6-8) 0.08 2.07 -118.04 4 4 2 45 229.368 3

Activity (Go SEA)

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