UCSF

ZINC04110942

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 33 No

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) 5.15 12.59 -11.27 0 7 0 76 482.945 6
Ref Reference (pH 7) 5.15 12.34 -9.05 0 7 0 76 482.945 6

Activity (Go SEA)

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