UCSF

ZINC14901535

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2008 31 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) 4.71 10.69 -13.89 1 5 0 72 408.457 5
Lo Low (pH 4.5-6) 4.71 10.96 -43.48 2 5 1 74 409.465 5

Activity (Go SEA)

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