UCSF

ZINC37814541

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) -2.02 3.23 -13.57 2 6 0 76 291.351 4
Mid Mid (pH 6-8) -2.02 3.58 -52.52 3 6 1 77 292.359 4

Activity (Go SEA)

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