UCSF

ZINC06812947

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 3.04 9.7 -56.61 0 8 -1 115 409.418 8
Mid Mid (pH 6-8) 3.49 1.42 -15.84 1 8 0 112 410.426 7
Mid Mid (pH 6-8) 2.46 0.8 -15.04 0 8 0 109 410.426 8

Activity (Go SEA)

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