UCSF

ZINC44898584

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 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) 2.63 4.86 -48.79 4 5 1 77 333.239 7
Hi High (pH 8-9.5) 2.44 3.96 -37.08 3 5 0 83 332.231 7

Activity (Go SEA)

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