UCSF

ZINC35389994

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) -1.67 1.31 -59.44 3 8 -1 135 282.276 5
Hi High (pH 8-9.5) -1.22 -0.54 -106.41 2 8 -2 138 281.268 5

Activity (Go SEA)

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