UCSF

ZINC41851210

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 27 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) 3.64 7.42 -40 1 5 -1 70 392.382 3
Mid Mid (pH 6-8) 3.18 8.67 -13.56 2 5 0 67 393.39 3

Activity (Go SEA)

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