UCSF

ZINC37207958

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 14 No

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) -0.86 1.21 -49.49 3 5 1 66 202.278 6
Mid Mid (pH 6-8) -0.86 -0.15 -17.2 2 5 0 61 201.27 6

Activity (Go SEA)

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