UCSF

ZINC36987759

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) 0.53 5.05 -47.81 5 5 1 84 254.383 3
Lo Low (pH 4.5-6) 0.53 4.85 -135.71 6 5 2 86 255.391 3

Activity (Go SEA)

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