UCSF

ZINC08983935

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 32 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) 5.15 8.11 -19.52 2 7 0 93 467.572 7
Hi High (pH 8-9.5) 5.61 6.87 -51.2 1 7 -1 96 466.564 7

Activity (Go SEA)

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