UCSF

ZINC42944283

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 2.96 8.24 -123.71 4 2 2 32 268.832 3
Hi High (pH 8-9.5) 2.96 7.99 -34.73 3 2 1 30 267.824 3
Hi High (pH 8-9.5) 2.96 6.59 -41.27 3 2 1 31 267.824 3

Activity (Go SEA)

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