UCSF

ZINC34944310

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 3.86 9.17 -57.42 0 6 -1 73 498.397 6
Mid Mid (pH 6-8) 3.86 11.45 -68.29 1 6 0 74 499.405 6
Lo Low (pH 4.5-6) 3.86 10.57 -47.52 2 6 1 71 500.413 6

Activity (Go SEA)

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