UCSF

ZINC05092015

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 31 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) 5.23 14.17 -9.5 0 5 0 50 412.489 3
Ref Reference (pH 7) 5.23 13.83 -11.32 0 5 0 50 412.489 3

Activity (Go SEA)

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