UCSF

ZINC44725507

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 17 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) 2.42 5.6 -28.21 2 3 1 26 243.415 7
Hi High (pH 8-9.5) 2.42 4.63 -36.36 2 3 1 29 243.415 7
Mid Mid (pH 6-8) 2.42 6.75 -96.69 3 3 2 30 244.423 7

Activity (Go SEA)

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