UCSF

ZINC36876740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 2.01 6.01 -88.04 5 4 2 67 275.396 7
Hi High (pH 8-9.5) 2.01 5.67 -48.08 4 4 1 66 274.388 7

Activity (Go SEA)

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