UCSF

ZINC57825216

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 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) 2.62 8.43 -65.81 2 5 0 74 290.363 6
Mid Mid (pH 6-8) 2.62 8.13 -50.18 1 5 -1 72 289.355 6
Lo Low (pH 4.5-6) 2.62 6.44 -23.29 3 5 0 71 291.371 6

Activity (Go SEA)

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