UCSF

ZINC43617423

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 37 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) 5.95 11.53 -54.52 2 6 -1 107 515.711 6
Mid Mid (pH 6-8) 5.95 9.57 -8.99 3 6 0 104 516.719 6
Lo Low (pH 4.5-6) 5.95 9.7 -12.55 3 6 0 104 516.719 6

Activity (Go SEA)

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