UCSF

ZINC69809699

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 24 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) 3.30 8.75 -19.98 1 5 0 83 333.372 3
Mid Mid (pH 6-8) 3.75 6.29 -54.55 0 5 -1 86 332.364 3

Activity (Go SEA)

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