UCSF

ZINC53563290

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 22 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) 2.76 5.97 -52.1 0 6 -1 80 300.338 4
Mid Mid (pH 6-8) 2.75 8.12 -18.9 1 6 0 76 301.346 4

Activity (Go SEA)

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