UCSF

ZINC33959418

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 33 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) 3.17 6.13 -22.67 2 8 0 92 452.555 11
Lo Low (pH 4.5-6) 3.17 8.49 -53.21 3 8 1 93 453.563 11

Activity (Go SEA)

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