UCSF

ZINC41664457

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 0.72 8.28 -108.22 4 5 2 62 287.411 2
Mid Mid (pH 6-8) 0.72 6.11 -53.28 3 5 1 61 286.403 2
Lo Low (pH 4.5-6) 0.72 6.57 -80.98 4 5 2 62 287.411 2

Activity (Go SEA)

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