UCSF

ZINC37805088

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) 0.90 6.25 -7.82 2 3 0 46 300.324 6
Mid Mid (pH 6-8) 0.90 6.58 -46.01 3 3 1 48 301.332 6

Activity (Go SEA)

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