UCSF

ZINC27194613

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 33 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) 2.25 9.64 -346.86 11 6 5 102 455.715 17
Hi High (pH 8-9.5) 2.25 5.16 -108.88 8 6 2 95 452.691 17
Hi High (pH 8-9.5) 2.25 5.54 -142.21 9 6 3 97 453.699 17
Mid Mid (pH 6-8) 2.25 7.21 -226.32 10 6 4 101 454.707 17

Activity (Go SEA)

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