UCSF

ZINC20607048

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 26 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) 1.65 10.07 -49.1 1 6 1 55 354.478 4
Mid Mid (pH 6-8) 1.65 7.82 -10.43 0 6 0 54 353.47 4

Activity (Go SEA)

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