UCSF

ZINC26221563

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 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) 2.41 3.45 -11.93 3 5 0 74 314.385 7
Mid Mid (pH 6-8) 2.41 4.53 -36.05 4 5 1 78 315.393 7

Activity (Go SEA)

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