UCSF

ZINC23416622

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.73 3.5 -51.3 2 6 0 82 286.335 5
Lo Low (pH 4.5-6) 0.27 4.32 -43.13 3 6 1 79 287.343 5

Activity (Go SEA)

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