UCSF

ZINC41564886

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 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) 3.08 6 -46.84 0 5 -1 64 332.43 4
Mid Mid (pH 6-8) 4.01 6.22 -14.02 1 5 0 66 333.438 3

Activity (Go SEA)

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