UCSF

ZINC37110338

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.69 5.08 -89.65 5 4 2 69 208.309 4
Hi High (pH 8-9.5) 0.69 5.11 -31.86 4 4 1 67 207.301 4
Hi High (pH 8-9.5) 0.69 4.65 -35.51 4 4 1 68 207.301 4

Activity (Go SEA)

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