UCSF

ZINC34688687

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 6.58 16.6 -28.4 2 5 1 57 457.038 10
Mid Mid (pH 6-8) 6.58 16.84 -16.57 1 5 0 56 456.03 10
Mid Mid (pH 6-8) 6.58 16.76 -37.26 2 5 1 60 457.038 10
Lo Low (pH 4.5-6) 6.58 16.66 -87.68 3 5 2 61 458.046 10

Activity (Go SEA)

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