UCSF

ZINC38637618

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 32 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) 3.10 6.76 -116.41 6 6 2 92 438.568 14
Hi High (pH 8-9.5) 3.10 5.35 -51.21 5 6 1 88 437.56 14

Activity (Go SEA)

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