UCSF

ZINC41571284

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 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) 1.95 5.91 -44.02 2 4 1 37 312.384 6
Hi High (pH 8-9.5) 1.95 3.63 -10.46 1 4 0 36 311.376 6
Mid Mid (pH 6-8) 1.95 5.91 -49.65 2 4 1 37 312.384 6

Activity (Go SEA)

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