UCSF

ZINC43742887

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2010 31 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) 2.00 7.13 -55.24 2 8 1 88 429.493 4
Hi High (pH 8-9.5) 2.00 4.82 -15.36 1 8 0 86 428.485 4

Activity (Go SEA)

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