UCSF

ZINC12081081

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2008 21 No

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) 2.88 5.58 -10.25 1 5 0 59 349.601 4
Hi High (pH 8-9.5) 3.06 4.06 -32.47 0 5 -1 65 348.593 4

Activity (Go SEA)

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