UCSF

ZINC09089426

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 29 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) 3.89 11.14 -67.05 0 4 -1 60 386.402 5
Mid Mid (pH 6-8) 4.34 11.72 -24 1 4 0 58 387.41 4

Activity (Go SEA)

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