UCSF

ZINC49478400

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 18 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) 0.77 7.03 -91.16 3 4 2 41 255.406 3
Hi High (pH 8-9.5) 0.77 5.67 -36.64 2 4 1 37 254.398 3

Activity (Go SEA)

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