UCSF

ZINC52039120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 19 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) 2.15 6.48 -39.87 2 4 1 43 263.361 7
Hi High (pH 8-9.5) 2.15 4.42 -9.85 1 4 0 42 262.353 7

Activity (Go SEA)

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