UCSF

ZINC36673134

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 3.16 6.33 -37.47 2 2 1 26 220.336 1
Hi High (pH 8-9.5) 3.16 5.13 -3.15 1 2 0 21 219.328 1

Activity (Go SEA)

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