UCSF

ZINC37175032

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 16 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) 1.70 4.28 -49.83 3 3 1 48 243.396 2
Mid Mid (pH 6-8) 1.70 3.98 -6.05 2 3 0 46 242.388 2

Activity (Go SEA)

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