UCSF

ZINC03283057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 22 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) 4.51 9.87 -44.21 2 3 1 39 313.446 4
Hi High (pH 8-9.5) 4.51 8.64 -9.75 1 3 0 34 312.438 4

Activity (Go SEA)

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