UCSF

ZINC20271398

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 29 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) 4.25 8.3 -10.95 1 5 0 58 397.507 3
Mid Mid (pH 6-8) 4.25 9.17 -47.01 2 5 1 59 398.515 3

Activity (Go SEA)

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