UCSF

ZINC35237063

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 16 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) 2.22 6.62 -41.78 1 4 1 33 241.746 2
Mid Mid (pH 6-8) 2.22 4.26 -7.13 0 4 0 32 240.738 2

Activity (Go SEA)

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