UCSF

ZINC42915105

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) 2.99 8.59 -111.37 4 3 2 41 292.467 6
Hi High (pH 8-9.5) 2.99 8.29 -31.26 3 3 1 40 291.459 6
Hi High (pH 8-9.5) 2.99 7.18 -39.05 3 3 1 40 291.459 6

Activity (Go SEA)

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