UCSF

ZINC37049149

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 0.79 3.23 -104.69 5 5 2 64 284.448 6
Mid Mid (pH 6-8) 0.79 3.42 -90.9 5 5 2 64 284.448 6
Mid Mid (pH 6-8) 0.79 1.24 -46.45 4 5 1 63 283.44 6

Activity (Go SEA)

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