UCSF

ZINC06622542

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 27 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) 2.97 7.93 -58.38 0 6 -1 87 382.779 5
Mid Mid (pH 6-8) 2.38 1.26 -21.29 0 6 0 80 383.787 5
Lo Low (pH 4.5-6) 2.97 7.17 -14.23 1 6 0 84 383.787 5

Activity (Go SEA)

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