UCSF

ZINC34676309

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 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) 0.89 8.4 -24.09 0 9 0 82 452.559 6
Mid Mid (pH 6-8) 0.89 10.61 -58.81 1 9 1 83 453.567 6

Activity (Go SEA)

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