UCSF

ZINC35386383

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 31 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) 4.30 7.78 -11.72 1 6 0 59 463.34 6
Mid Mid (pH 6-8) 4.30 10.03 -54.11 2 6 1 61 464.348 6

Activity (Go SEA)

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