UCSF

ZINC36682501

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 21 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) 1.61 4.8 -58.02 4 5 1 75 287.339 7
Hi High (pH 8-9.5) 1.61 4.36 -12.48 3 5 0 74 286.331 7

Activity (Go SEA)

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