UCSF

ZINC41197788

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 21 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) 2.40 6.93 -10.09 1 4 0 43 304.463 4
Mid Mid (pH 6-8) 2.40 7.66 -33.46 2 4 1 47 305.471 4

Activity (Go SEA)

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