UCSF

ZINC20839602

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 23 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) 2.07 7.52 -21.35 1 7 0 86 352.489 7
Hi High (pH 8-9.5) 2.25 6.45 -49.91 0 7 -1 92 351.481 7

Activity (Go SEA)

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