UCSF

ZINC35500609

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 3.38 6.81 -58.46 3 4 1 63 303.769 4
Hi High (pH 8-9.5) 3.83 4.18 -76.52 2 4 0 66 302.761 4
Hi High (pH 8-9.5) 3.83 3.11 -47.16 1 4 -1 61 301.753 4
Hi High (pH 8-9.5) 3.38 5.72 -10.53 2 4 0 58 302.761 4

Activity (Go SEA)

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