UCSF

ZINC29487047

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 39 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) 6.40 16.32 -59.27 1 8 -1 122 539.645 15
Mid Mid (pH 6-8) 6.40 17.18 -112.46 0 8 -2 125 538.637 15

Activity (Go SEA)

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