UCSF

ZINC30137283

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2009 20 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) 0.52 2.11 -59.67 3 6 1 80 306.452 8
Hi High (pH 8-9.5) 0.52 1.74 -54.83 2 6 0 82 305.444 8

Activity (Go SEA)

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