UCSF

ZINC33813915

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 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) 3.62 11.4 -58.61 0 9 -1 109 515.571 9
Lo Low (pH 4.5-6) 3.62 11.3 -24.74 1 9 0 106 516.579 9

Activity (Go SEA)

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