UCSF

ZINC42944181

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 8.26 -124.11 4 2 2 32 268.832 3
Hi High (pH 8-9.5) 2.96 8.03 -35.38 3 2 1 30 267.824 3
Hi High (pH 8-9.5) 2.96 5.69 -43.26 3 2 1 31 267.824 3

Activity (Go SEA)

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