UCSF

ZINC44232880

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 15 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) -0.32 0.3 -49.63 4 3 1 57 218.223 5
Hi High (pH 8-9.5) -0.32 -0.01 -7.01 3 3 0 55 217.215 5

Activity (Go SEA)

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