UCSF

ZINC49175982

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.08 -0.61 -17.36 3 5 0 78 256.689 4
Hi High (pH 8-9.5) 1.08 0.16 -53.15 2 5 -1 81 255.681 4

Activity (Go SEA)

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