UCSF

ZINC13810629

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 32 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) 1.61 7.96 -13.32 1 9 0 108 459.503 6

Activity (Go SEA)

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