UCSF

ZINC05610313

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 27 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) 2.85 7.65 -16.54 2 8 0 105 373.409 5
Hi High (pH 8-9.5) 3.04 5.24 -57.58 1 8 -1 111 372.401 5

Activity (Go SEA)

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