UCSF

ZINC44911208

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 21 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) 2.69 9.32 -9.36 0 4 0 51 301.415 6
Mid Mid (pH 6-8) 2.69 9.77 -34.26 1 4 1 52 302.423 6

Activity (Go SEA)

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