UCSF

ZINC05408740

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 28 No

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) 2.48 5.71 -59.46 0 7 -1 88 382.392 6
Mid Mid (pH 6-8) 2.92 1.37 -21.48 1 7 0 85 383.4 5

Activity (Go SEA)

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