UCSF

ZINC37253345

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 16 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) 1.00 4.6 -105.44 4 4 2 50 227.352 5
Hi High (pH 8-9.5) 1.00 3.42 -39.65 3 4 1 46 226.344 5
Mid Mid (pH 6-8) 1.00 2.22 -40.98 3 4 1 49 226.344 5

Activity (Go SEA)

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