UCSF

ZINC36743272

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 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) 2.38 2.89 -46.26 2 4 -1 74 281.744 3
Mid Mid (pH 6-8) 2.38 2.82 -8.99 3 4 0 72 282.752 3

Activity (Go SEA)

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