UCSF

ZINC35258494

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.97 8.48 -47.8 2 4 1 38 287.431 7
Mid Mid (pH 6-8) 1.97 10.69 -38.22 2 4 1 34 287.431 7
Mid Mid (pH 6-8) 1.97 11.2 -74.94 3 4 2 36 288.439 7

Activity (Go SEA)

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