UCSF

ZINC37490436

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 15 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) 1.37 4.4 -39.72 3 4 1 63 210.253 6
Hi High (pH 8-9.5) 1.37 3.99 -7.79 2 4 0 62 209.245 6

Activity (Go SEA)

Rings

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