UCSF

ZINC69382518

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2011 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) 5.08 9.19 -35.92 2 2 1 29 281.489 8
Hi High (pH 8-9.5) 5.08 8.19 -4.71 1 2 0 25 280.481 8
Lo Low (pH 4.5-6) 5.08 9.4 -93.88 3 2 2 31 282.497 8

Activity (Go SEA)

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