UCSF

ZINC34466890

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 19 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) 0.75 6.74 -10.04 0 5 0 49 260.341 2
Mid Mid (pH 6-8) 0.75 9.09 -47.19 1 5 1 51 261.349 2

Activity (Go SEA)

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