UCSF

ZINC42463742

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 2.30 6.7 -121.69 4 3 2 41 256.434 5
Hi High (pH 8-9.5) 2.30 6.69 -29.06 3 3 1 40 255.426 5
Hi High (pH 8-9.5) 2.30 4.13 -40.02 3 3 1 40 255.426 5

Activity (Go SEA)

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