UCSF

ZINC50438751

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2010 18 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) 2.69 8.8 -43.95 3 1 1 28 260.788 3
Hi High (pH 8-9.5) 2.69 8.52 -3.86 2 1 0 26 259.78 3

Activity (Go SEA)

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