UCSF

ZINC20752745

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 28 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) 3.26 8.66 -45.58 2 5 1 54 416.592 3
Mid Mid (pH 6-8) 3.26 6.27 -9.53 1 5 0 53 415.584 3

Activity (Go SEA)

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