UCSF

ZINC37116348

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) -0.07 1.53 -118.67 5 5 2 78 267.439 10
Hi High (pH 8-9.5) -0.07 1.13 -46.84 4 5 1 77 266.431 10

Activity (Go SEA)

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