UCSF

ZINC42409695

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 12 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) 0.13 0.09 -36.6 3 3 1 40 173.28 7
Hi High (pH 8-9.5) 0.13 1.19 -32.44 3 3 1 37 173.28 7

Activity (Go SEA)

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