UCSF

ZINC01290420

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 30 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) 6.02 10.16 -18.82 2 5 0 75 435.574 5
Hi High (pH 8-9.5) 6.48 8.92 -49.06 1 5 -1 78 434.566 5

Activity (Go SEA)

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