UCSF

ZINC26400409

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 38 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) 6.18 18.55 -79.69 2 5 2 32 511.71 10
Hi High (pH 8-9.5) 6.18 15.99 -34.7 1 5 1 31 510.702 10

Activity (Go SEA)

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