UCSF

ZINC20614901

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 26 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) 2.14 7.62 -66.31 0 7 -1 82 396.254 4
Mid Mid (pH 6-8) 2.14 9.9 -93.8 1 7 0 83 397.262 4

Activity (Go SEA)

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