UCSF

ZINC35872342

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 33 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) 3.62 10.74 -14.88 1 6 0 65 443.547 9
Lo Low (pH 4.5-6) 3.62 11.18 -46.24 2 6 1 67 444.555 9

Activity (Go SEA)

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