UCSF

ZINC37802453

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 1.98 5.43 -42.43 3 4 1 57 283.367 7
Mid Mid (pH 6-8) 1.98 5.16 -7.15 2 4 0 56 282.359 7

Activity (Go SEA)

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