UCSF

ZINC43411116

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.31 1.48 -43.42 4 6 1 86 302.42 6
Hi High (pH 8-9.5) 1.31 -0.76 -8.72 3 6 0 85 301.412 6

Activity (Go SEA)

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