UCSF

ZINC36287853

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 19 Yes

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) 1.91 -2.3 -42.64 2 6 -1 94 298.369 4
Mid Mid (pH 6-8) 1.45 -0.13 -41.77 2 6 -1 93 298.369 4
Mid Mid (pH 6-8) 1.45 -0.25 -10.79 3 6 0 91 299.377 4

Activity (Go SEA)

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