UCSF

ZINC34552026

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 27 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) 4.02 8.28 -70.8 2 6 0 79 405.907 6
Mid Mid (pH 6-8) 4.02 7.5 -54.94 3 6 1 76 406.915 6

Activity (Go SEA)

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