UCSF

ZINC35436991

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 29 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) -0.33 3.12 -11.21 0 9 0 82 404.515 8
Mid Mid (pH 6-8) -0.33 5.35 -51.14 1 9 1 83 405.523 8
Mid Mid (pH 6-8) -0.33 5.39 -43.08 1 9 1 83 405.523 8
Lo Low (pH 4.5-6) -0.33 7.6 -94.15 2 9 2 85 406.531 8

Activity (Go SEA)

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