UCSF

ZINC45966596

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 30 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) 0.85 5.36 -12.56 1 8 0 80 419.522 8
Mid Mid (pH 6-8) 0.85 6.64 -60.91 2 8 1 85 420.53 8

Activity (Go SEA)

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