UCSF

ZINC37462917

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 21 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) 2.86 6.39 -49.1 1 5 -1 86 304.347 6
Mid Mid (pH 6-8) 2.86 6.54 -106.81 0 5 -2 88 303.339 6

Activity (Go SEA)

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