UCSF

ZINC32009817

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 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) 0.58 3.1 -94.68 4 3 2 45 201.339 5
Hi High (pH 8-9.5) 0.58 0.45 -4.21 2 3 0 42 199.323 5
Hi High (pH 8-9.5) 0.58 0.85 -45.59 3 3 1 44 200.331 5

Activity (Go SEA)

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