UCSF

ZINC62456009

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 18 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) 1.95 3.76 -45.45 2 5 1 54 278.442 6
Mid Mid (pH 6-8) 1.95 2.22 -7.13 1 5 0 53 277.434 6

Activity (Go SEA)

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