UCSF

ZINC44677472

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 2.93 8.03 -35.37 2 2 1 20 259.417 4
Hi High (pH 8-9.5) 2.92 8.35 -28.94 2 2 1 16 259.417 4
Lo Low (pH 4.5-6) 2.93 9.49 -95.47 3 2 2 21 260.425 4

Activity (Go SEA)

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