UCSF

ZINC37813813

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) -1.00 4.48 -12.93 2 6 0 82 294.351 9
Mid Mid (pH 6-8) -1.00 4.8 -46.35 3 6 1 83 295.359 9

Activity (Go SEA)

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