UCSF

ZINC26227480

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 20 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) 2.46 7.22 -8.42 0 4 0 43 271.316 4
Mid Mid (pH 6-8) 2.46 9.54 -48.11 1 4 1 44 272.324 4

Activity (Go SEA)

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