UCSF

ZINC60459814

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2011 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) 1.01 4.18 -38.9 2 4 1 37 240.371 4
Hi High (pH 8-9.5) 1.01 1.81 -7.08 1 4 0 36 239.363 4

Activity (Go SEA)

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