UCSF

ZINC08614088

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2007 32 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) 4.56 7.83 -44.57 1 7 -1 96 450.54 7
Mid Mid (pH 6-8) 4.10 9.76 -13.36 2 7 0 93 451.548 7

Activity (Go SEA)

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