UCSF

ZINC09086135

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 28 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) 3.20 7.46 -55.26 0 6 -1 79 445.289 7
Mid Mid (pH 6-8) 2.62 6.97 -27.01 0 6 0 73 446.297 7
Mid Mid (pH 6-8) 3.65 5.99 -31.77 1 6 0 76 446.297 6

Activity (Go SEA)

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