UCSF

ZINC25539115

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 23 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) 2.86 4.57 -15.54 2 5 0 71 333.457 5
Mid Mid (pH 6-8) 2.86 4.96 -39.87 3 5 1 72 334.465 5

Activity (Go SEA)

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