UCSF

ZINC36883460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) 2.00 5.42 -101.64 4 2 2 32 200.37 5
Hi High (pH 8-9.5) 2.00 5.04 -29.16 3 2 1 30 199.362 5
Hi High (pH 8-9.5) 2.00 3.58 -42.1 3 2 1 31 199.362 5

Activity (Go SEA)

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