UCSF

ZINC44648441

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) -1.09 -0.7 -56.55 5 7 1 107 240.287 7
Hi High (pH 8-9.5) -1.09 -2.04 -23.12 4 7 0 102 239.279 7

Activity (Go SEA)

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