UCSF

ZINC01228457

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 29 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) 5.32 10.42 -12.99 1 5 0 64 402.475 4
Ref Reference (pH 7) 5.32 9.26 -12.76 1 5 0 64 402.475 4

Activity (Go SEA)

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