UCSF

ZINC45629265

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) 4.69 8.86 -41.96 2 1 1 17 301.273 4
Hi High (pH 8-9.5) 4.69 7.68 -2.21 1 1 0 12 300.265 4

Activity (Go SEA)

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