UCSF

ZINC11838661

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 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) 3.21 -1.08 -47.97 2 5 1 54 446.615 6

Activity (Go SEA)

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