UCSF

ZINC16700817

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 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) 3.02 8.79 -59.18 0 9 -1 125 439.444 10
Mid Mid (pH 6-8) 3.47 7.75 -33.85 1 9 0 122 440.452 9
Mid Mid (pH 6-8) 2.44 8.73 -30.57 0 9 0 119 440.452 10

Activity (Go SEA)

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