UCSF

ZINC43020311

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 20 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) 1.51 5.68 -34.23 1 6 1 65 275.332 3
Hi High (pH 8-9.5) 1.51 3.26 -7.95 0 6 0 64 274.324 3

Activity (Go SEA)

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