UCSF

ZINC11996805

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 25 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) 2.95 1.31 -42.8 2 5 1 54 346.426 8

Activity (Go SEA)

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