UCSF

ZINC16512344

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2008 32 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) 0.52 7.45 -56.57 3 12 0 168 456.44 8
Mid Mid (pH 6-8) 0.59 5.8 -76.31 2 12 -1 174 455.432 8

Activity (Go SEA)

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