UCSF

ZINC42915412

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 2.02 3.56 -124.09 6 4 2 75 295.402 5
Hi High (pH 8-9.5) 2.02 3.26 -40.49 5 4 1 74 294.394 5
Hi High (pH 8-9.5) 2.02 2.33 -54.97 5 4 1 74 294.394 5

Activity (Go SEA)

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