UCSF

ZINC08879223

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 33 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) 3.14 -2.91 -23.39 2 8 0 89 453.539 8

Activity (Go SEA)

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