UCSF

ZINC05445642

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 30 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) 2.28 7.71 -64.08 0 8 -1 105 410.402 8
Mid Mid (pH 6-8) 2.73 1.22 -31.67 1 8 0 102 411.41 7
Mid Mid (pH 6-8) 1.70 2.95 -14.61 0 8 0 99 411.41 8

Activity (Go SEA)

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