UCSF

ZINC34979062

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) -1.85 -4.94 -58.83 4 6 1 86 238.333 6
Hi High (pH 8-9.5) -1.85 -5.33 -11.37 3 6 0 85 237.325 6
Mid Mid (pH 6-8) -1.85 -2.68 -113.37 5 6 2 87 239.341 6

Activity (Go SEA)

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