UCSF

ZINC42914498

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 3.54 8.63 -127.93 4 2 2 32 282.447 7
Hi High (pH 8-9.5) 3.54 8.19 -31.02 3 2 1 30 281.439 7
Hi High (pH 8-9.5) 3.54 7.54 -49.33 3 2 1 31 281.439 7

Activity (Go SEA)

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