UCSF

ZINC36880131

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 1.91 4.67 -12.57 2 4 0 66 247.294 2
Hi High (pH 8-9.5) 1.91 5.66 -53.47 1 4 -1 69 246.286 2

Activity (Go SEA)

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