UCSF

ZINC34963659

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 2.20 4.94 -102.71 4 3 2 35 289.876 5
Hi High (pH 8-9.5) 2.20 2.54 -2.57 2 3 0 32 287.86 5
Mid Mid (pH 6-8) 2.20 2.69 -47.48 3 3 1 34 288.868 5

Activity (Go SEA)

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