UCSF

ZINC08606572

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2007 34 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) 5.83 11.03 -14.96 2 6 0 78 453.542 8
Mid Mid (pH 6-8) 5.83 11.8 -54.46 1 6 -1 81 452.534 8

Activity (Go SEA)

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