UCSF

ZINC12413122

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 31 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) 5.52 11.28 -9.76 0 6 0 64 484.394 6
Mid Mid (pH 6-8) 5.52 13.59 -47.21 1 6 1 65 485.402 6
Lo Low (pH 4.5-6) 5.52 13.33 -47.93 1 6 1 65 485.402 6

Activity (Go SEA)

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