UCSF

ZINC40976238

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 25 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) 2.34 9.57 -77.4 1 5 -1 82 334.351 5
Mid Mid (pH 6-8) 2.34 8.75 -33.6 2 5 0 86 335.359 5

Activity (Go SEA)

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