UCSF

ZINC06621284

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 31 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) 2.90 9.14 -59.38 0 6 -1 83 413.453 7
Mid Mid (pH 6-8) 2.31 -0.29 -22.2 0 6 0 76 414.461 7
Lo Low (pH 4.5-6) 2.90 8.39 -14.28 1 6 0 80 414.461 7
Lo Low (pH 4.5-6) 2.90 8.86 -42.99 2 6 1 81 415.469 7

Activity (Go SEA)

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