UCSF

ZINC70410301

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2011 20 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) 3.51 8.51 -31.04 3 3 1 43 290.456 2
Mid Mid (pH 6-8) 3.51 8.05 -9.63 2 3 0 42 289.448 2

Activity (Go SEA)

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