UCSF

ZINC01290388

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 28 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) 5.20 8.95 -18.6 2 5 0 75 407.52 5
Hi High (pH 8-9.5) 5.65 7.71 -48.57 1 5 -1 78 406.512 5

Activity (Go SEA)

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