UCSF

ZINC20797471

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.19 3.13 -13.76 1 7 0 65 360.458 6
Lo Low (pH 4.5-6) 1.19 5.34 -43.76 2 7 1 66 361.466 6
Lo Low (pH 4.5-6) 1.19 5.34 -40.6 2 7 1 66 361.466 6

Activity (Go SEA)

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