UCSF

ZINC34465110

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 13 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) 4.18 5.48 -4.62 1 1 0 20 182.238 4
Hi High (pH 8-9.5) 4.18 6.25 -45.96 0 1 -1 23 181.23 4

Activity (Go SEA)

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