UCSF

ZINC38611755

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 31 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) -0.35 -2.06 -102.04 3 9 -2 167 459.457 4
Hi High (pH 8-9.5) -0.35 -1.28 -194.74 2 9 -3 170 458.449 4

Activity (Go SEA)

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