UCSF

ZINC51404533

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 22 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) 3.61 8.95 -43.96 2 3 1 34 300.422 8
Hi High (pH 8-9.5) 3.61 6.61 -7.2 1 3 0 33 299.414 8

Activity (Go SEA)

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