UCSF

ZINC20114566

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 23 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) 2.55 7.98 -11.2 1 5 0 71 344.465 3
Mid Mid (pH 6-8) 2.55 7.87 -107.13 3 5 2 74 346.481 3

Activity (Go SEA)

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