UCSF

ZINC11821622

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 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) 2.83 0.04 -36.88 2 3 1 33 278.379 1
Lo Low (pH 4.5-6) 2.83 0.17 -100.55 3 3 2 34 279.387 1

Activity (Go SEA)

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