UCSF

ZINC36322581

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 24 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) 4.08 9.58 -11.56 0 4 0 50 331.297 4
Lo Low (pH 4.5-6) 4.08 10.01 -38.46 1 4 1 52 332.305 4

Activity (Go SEA)

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