UCSF

ZINC10104730

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2007 28 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.79 2.06 -11.08 0 7 0 65 381.48 5
Mid Mid (pH 6-8) 4.79 2.33 -31.83 1 7 1 66 382.488 5

Activity (Go SEA)

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