UCSF

ZINC43411339

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 3.12 4.63 -37.74 3 4 1 49 303.511 13
Mid Mid (pH 6-8) 3.12 5.51 -30.04 3 4 1 46 303.511 13
Lo Low (pH 4.5-6) 3.12 6.79 -109.99 4 4 2 51 304.519 13

Activity (Go SEA)

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