UCSF

ZINC45658269

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 3.18 6.95 -36.37 2 2 1 26 240.392 7
Hi High (pH 8-9.5) 3.18 5.92 -3.08 1 2 0 21 239.384 7

Activity (Go SEA)

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