UCSF

ZINC09272200

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 33 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) 4.97 11.01 -56.61 0 6 -1 79 515.424 10
Mid Mid (pH 6-8) 5.42 9.97 -25.9 1 6 0 76 516.432 9
Mid Mid (pH 6-8) 4.39 -0.35 -20.96 0 6 0 72 516.432 10

Activity (Go SEA)

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