UCSF

ZINC58382678

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 26 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) 2.09 4.69 -16.99 1 7 0 75 382.892 7
Mid Mid (pH 6-8) 2.09 6.91 -59.77 2 7 1 76 383.9 7

Activity (Go SEA)

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