UCSF

ZINC46090895

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.14 8.29 -37.7 2 4 1 45 313.506 9
Hi High (pH 8-9.5) 3.14 6.09 -7.55 1 4 0 44 312.498 9

Activity (Go SEA)

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