UCSF

ZINC06962153

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2006 27 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) 2.91 6.25 -120.84 0 9 -2 139 386.389 4
Mid Mid (pH 6-8) 3.66 -0.94 -18.16 2 9 0 130 388.405 5
Mid Mid (pH 6-8) 2.45 7.44 -55.58 1 9 -1 136 387.397 4
Mid Mid (pH 6-8) 2.45 7.96 -52.13 1 9 -1 136 387.397 4

Activity (Go SEA)

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