UCSF

ZINC51693720

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2010 15 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) 0.23 3.76 -47.6 4 4 1 65 207.301 2
Mid Mid (pH 6-8) 0.23 4.19 -85 5 4 2 67 208.309 2

Activity (Go SEA)

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