UCSF

ZINC37303950

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 No

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) 2.66 7.21 -35.83 1 3 1 21 302.895 7
Hi High (pH 8-9.5) 2.66 4.94 -5.45 0 3 0 19 301.887 7
Mid Mid (pH 6-8) 2.66 7.21 -39.63 1 3 1 21 302.895 7

Activity (Go SEA)

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