UCSF

ZINC20130178

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 39 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) 4.51 10.98 -58.14 0 8 -1 91 535.661 12
Mid Mid (pH 6-8) 4.51 13.31 -76.72 1 8 0 93 536.669 12

Activity (Go SEA)

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