UCSF

ZINC02562548

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 9 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) -1.22 -0.91 -98.35 5 3 2 52 134.223 5
Hi High (pH 8-9.5) -1.22 -1.28 -31.19 4 3 1 51 133.215 5

Activity (Go SEA)

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