UCSF

ZINC20601258

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) 2.19 7 -49.19 1 6 1 54 355.462 6
Mid Mid (pH 6-8) 2.19 6.93 -48.56 1 6 1 54 355.462 6
Mid Mid (pH 6-8) 2.19 4.62 -9.03 0 6 0 53 354.454 6

Activity (Go SEA)

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