UCSF

ZINC31854581

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 19 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) 3.48 2.47 -49.56 1 6 -1 82 277.691 4
Lo Low (pH 4.5-6) 3.03 3.27 -16 2 6 0 79 278.699 4

Activity (Go SEA)

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