UCSF

ZINC34016591

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 32 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) 2.78 10.39 -48.36 1 7 1 55 454.62 5
Mid Mid (pH 6-8) 2.78 8.03 -13.7 0 7 0 54 453.612 5

Activity (Go SEA)

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