UCSF

ZINC36273256

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.15 8.26 -16.59 2 6 0 67 363.465 3
Mid Mid (pH 6-8) 2.15 8.54 -31.69 3 6 1 68 364.473 3
Lo Low (pH 4.5-6) 2.15 9.95 -100.6 4 6 2 69 365.481 3

Activity (Go SEA)

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