UCSF

ZINC08987822

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 36 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) 5.26 11.15 -53.39 0 7 -1 92 503.531 7
Mid Mid (pH 6-8) 5.71 11.11 -19.91 1 7 0 89 504.539 6

Activity (Go SEA)

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