UCSF

ZINC43411370

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) 2.81 4.37 -43.47 3 4 1 49 360.316 8
Mid Mid (pH 6-8) 2.81 5 -33.87 3 4 1 46 360.316 8
Lo Low (pH 4.5-6) 2.81 6.37 -116.83 4 4 2 51 361.324 8

Activity (Go SEA)

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