UCSF

ZINC42476998

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.58 1.65 -41.44 4 3 1 57 173.28 4
Hi High (pH 8-9.5) 0.58 1.34 -7.41 3 3 0 55 172.272 4

Activity (Go SEA)

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