UCSF

ZINC36080450

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 28 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) 0.84 15.82 -103.13 3 5 2 56 421.372 8
Hi High (pH 8-9.5) 0.84 13.65 -37.43 2 5 1 55 420.364 8

Activity (Go SEA)

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