UCSF

ZINC52178264

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 19 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) 4.12 8.36 -40.08 2 2 1 26 280.457 5
Hi High (pH 8-9.5) 4.12 7.26 -2.41 1 2 0 21 279.449 5

Activity (Go SEA)

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