UCSF

ZINC44891441

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 24 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) 2.15 0.79 -19.35 3 7 0 104 324.34 3
Ref Reference (pH 7) 1.96 3.46 -21.08 3 7 0 100 324.34 3

Activity (Go SEA)

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