UCSF

ZINC33771586

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 38 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) 4.00 12.28 -55.4 0 8 -1 101 515.586 12
Lo Low (pH 4.5-6) 4.00 10.99 -21.35 1 8 0 98 516.594 12
Lo Low (pH 4.5-6) 4.00 11.43 -60.07 2 8 1 99 517.602 12

Activity (Go SEA)

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