UCSF

ZINC36379140

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 24 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) 3.53 10.33 -7.48 1 5 0 54 327.428 6
Mid Mid (pH 6-8) 3.53 10.95 -32.22 2 5 1 56 328.436 6

Activity (Go SEA)

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