UCSF

ZINC33505988

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 21 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) 2.98 4.87 -41.15 3 4 1 55 290.383 7
Hi High (pH 8-9.5) 2.98 3.5 -7.81 2 4 0 51 289.375 7

Activity (Go SEA)

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