UCSF

ZINC42959063

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 23 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) 2.60 7.48 -57.09 2 5 1 55 321.489 5
Hi High (pH 8-9.5) 2.60 6.28 -12.11 1 5 0 50 320.481 5

Activity (Go SEA)

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