UCSF

ZINC09593203

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2007 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) 2.92 5.81 -13.85 1 5 0 72 283.331 3
Mid Mid (pH 6-8) 3.11 6.62 -29.06 3 5 1 76 284.339 1
Mid Mid (pH 6-8) 3.37 7.71 -96.7 3 5 2 74 285.347 2

Activity (Go SEA)

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