UCSF

ZINC34583159

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 12 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) 1.02 1.67 -44.85 3 4 1 58 183.622 1
Hi High (pH 8-9.5) 1.02 1.26 -7.24 2 4 0 56 182.614 1

Activity (Go SEA)

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