UCSF

ZINC06137760

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 34 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) 3.32 15.26 -58.14 2 6 1 60 453.566 4
Hi High (pH 8-9.5) 3.32 12.95 -26.37 1 6 0 59 452.558 4

Activity (Go SEA)

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