UCSF

ZINC40090513

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 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) 3.22 8.22 -7.76 1 2 0 29 261.39 5
Mid Mid (pH 6-8) 3.41 6.99 -33.16 2 2 1 34 262.398 5

Activity (Go SEA)

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