UCSF

ZINC37409326

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 13 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) 0.57 2.89 -43.02 0 4 -1 53 186.231 4
Mid Mid (pH 6-8) 0.57 5.16 -44.17 1 4 0 54 187.239 4

Activity (Go SEA)

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