UCSF

ZINC20394765

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 4.13 11.88 -17.19 1 4 0 28 415.578 9
Mid Mid (pH 6-8) 4.13 14.21 -52.05 2 4 1 29 416.586 9

Activity (Go SEA)

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