UCSF

ZINC36124554

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 19 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) 1.64 6.09 -41.31 1 4 1 28 270.441 5
Mid Mid (pH 6-8) 1.64 8.01 -105.55 2 4 2 29 271.449 5
Mid Mid (pH 6-8) 1.64 5.57 -40.7 1 4 1 28 270.441 5

Activity (Go SEA)

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