UCSF

ZINC40522734

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 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) 0.21 7.09 -70.94 2 6 0 77 271.361 5
Mid Mid (pH 6-8) 0.21 4.64 -54.07 1 6 -1 76 270.353 5

Activity (Go SEA)

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