UCSF

ZINC27653858

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 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) 3.50 5.27 -12.51 2 3 0 44 315.8 2
Mid Mid (pH 6-8) 3.50 7.53 -48.64 3 3 1 45 316.808 2

Activity (Go SEA)

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