UCSF

ZINC61295897

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 19 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) -1.18 -0.04 -52.43 4 7 1 95 269.325 4
Hi High (pH 8-9.5) -0.99 -2.68 -72.87 3 7 0 101 268.317 4

Activity (Go SEA)

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