UCSF

ZINC34325841

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 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) 1.49 1.65 -10.43 2 4 0 66 207.229 4
Hi High (pH 8-9.5) 1.94 -0.97 -49.33 1 4 -1 69 206.221 4

Activity (Go SEA)

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