UCSF

ZINC09462155

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 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) 2.71 7.59 -61.88 0 9 -1 122 453.452 7
Mid Mid (pH 6-8) 3.16 6.66 -31.67 1 9 0 119 454.46 6
Mid Mid (pH 6-8) 2.13 7.65 -25.64 0 9 0 116 454.46 7

Activity (Go SEA)

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