UCSF

ZINC70451320

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2011 20 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) 3.70 9.5 -64.35 0 4 -1 58 269.324 2
Mid Mid (pH 6-8) 3.70 9.92 -31.89 1 4 0 59 270.332 2

Activity (Go SEA)

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