UCSF

ZINC53161347

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 3.47 6.3 -49.38 3 4 -1 78 293.705 4
Mid Mid (pH 6-8) 3.47 6.14 -42.22 4 4 0 80 294.713 4

Activity (Go SEA)

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