UCSF

ZINC21936277

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 30 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) 1.71 6.24 -44.9 1 7 -1 82 423.518 5
Mid Mid (pH 6-8) 1.26 6.66 -16.97 2 7 0 79 424.526 5
Lo Low (pH 4.5-6) 1.26 9.01 -55.78 3 7 1 81 425.534 5

Activity (Go SEA)

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