UCSF

ZINC27564634

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 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) -0.13 6.07 -52.58 2 7 1 80 281.336 3
Hi High (pH 8-9.5) -0.13 4.26 -14.23 1 7 0 79 280.328 3

Activity (Go SEA)

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