UCSF

ZINC00959427

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2004 33 Yes

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) 3.65 9.47 -13.71 2 10 0 112 515.368 7
Lo Low (pH 4.5-6) 3.83 9.71 -36.05 3 10 1 117 516.376 7

Activity (Go SEA)

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