UCSF

ZINC35609847

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 19 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) 0.13 -0.35 -11.93 2 7 0 96 294.373 8
Hi High (pH 8-9.5) 0.13 -0.71 -45.44 1 7 -1 98 293.365 8

Activity (Go SEA)

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