UCSF

ZINC36882087

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.81 6.08 -10.85 1 3 0 46 255.104 2
Hi High (pH 8-9.5) 3.27 3.94 -42.41 0 3 -1 49 254.096 2

Activity (Go SEA)

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