UCSF

ZINC08934833

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2007 33 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) 2.61 3.54 -14.97 3 10 0 116 457.483 8
Mid Mid (pH 6-8) 2.24 2.1 -49.68 4 10 1 121 458.491 8

Activity (Go SEA)

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