UCSF

ZINC40556784

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 25 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) 3.23 8.45 -52.43 1 5 1 41 342.415 4
Mid Mid (pH 6-8) 3.23 6.76 -11.81 0 5 0 40 341.407 4

Activity (Go SEA)

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