UCSF

ZINC39364732

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 22 No

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) 2.99 8.97 -40.63 1 4 1 40 319.45 5
Mid Mid (pH 6-8) 2.99 7.04 -11.38 0 4 0 39 318.442 5

Activity (Go SEA)

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