UCSF

ZINC19995344

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 1.28 7.85 -32.26 1 7 0 90 361.452 4
Hi High (pH 8-9.5) 1.46 6.79 -54.64 0 7 -1 96 360.444 4

Activity (Go SEA)

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