UCSF

ZINC37857402

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 34 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) 2.59 6.74 -16.09 0 8 0 83 460.486 6
Mid Mid (pH 6-8) 2.59 9.61 -63.03 1 8 1 84 461.494 6
Lo Low (pH 4.5-6) 2.59 10.09 -101.38 2 8 2 86 462.502 6

Activity (Go SEA)

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