UCSF

ZINC17025347

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 24 No

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) 3.41 3.58 -88.32 0 6 -2 105 385.228 4
Mid Mid (pH 6-8) 3.41 2.91 -45.01 1 6 -1 102 386.236 4
Lo Low (pH 4.5-6) 3.41 0.53 -21.04 2 6 0 99 387.244 4
Lo Low (pH 4.5-6) 2.89 3.29 -17.02 2 6 0 96 387.244 4

Activity (Go SEA)

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