UCSF

ZINC42557608

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 No

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) 3.21 8.23 -46.43 0 4 -1 44 261.374 4
Mid Mid (pH 6-8) 2.48 8.09 -10.6 1 4 0 47 262.382 4

Activity (Go SEA)

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