UCSF

ZINC36618517

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 29 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) 3.20 8.21 -25.4 1 9 0 127 389.371 4
Hi High (pH 8-9.5) 3.27 6.38 -44.61 0 9 -1 133 388.363 4

Activity (Go SEA)

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