UCSF

ZINC02788669

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 24 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) 5.49 9.47 -9.6 1 5 0 59 371.264 6
Mid Mid (pH 6-8) 4.57 6.08 -11.92 1 5 0 62 371.264 6

Activity (Go SEA)

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