UCSF

ZINC05478201

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 23 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) 2.70 6.09 -41.44 4 4 1 62 311.405 8
Hi High (pH 8-9.5) 2.70 4.68 -11.58 3 4 0 57 310.397 8

Activity (Go SEA)

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