UCSF

ZINC49475587

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 18 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) 1.56 6.18 -38.74 2 5 1 50 251.354 5
Hi High (pH 8-9.5) 1.56 3.74 -13.08 1 5 0 48 250.346 5

Activity (Go SEA)

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