UCSF

ZINC37050568

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.43 7.18 -53.35 3 4 1 55 282.367 5
Mid Mid (pH 6-8) 2.43 7.61 -82.44 4 4 2 56 283.375 5

Activity (Go SEA)

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