UCSF

ZINC02586221

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 17 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) -0.54 3.13 -43.88 3 5 0 86 245.181 3
Hi High (pH 8-9.5) -0.54 2.8 -39.6 2 5 -1 85 244.173 3

Activity (Go SEA)

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