UCSF

ZINC37054509

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 0.92 0.3 -9.32 2 5 0 67 307.778 2
Mid Mid (pH 6-8) 0.92 2.65 -43.77 3 5 1 68 308.786 2

Activity (Go SEA)

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