UCSF

ZINC37044800

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 0.82 1.47 -74.44 4 7 0 110 260.301 5
Hi High (pH 8-9.5) 0.82 1.18 -50.97 3 7 -1 108 259.293 5
Lo Low (pH 4.5-6) 0.82 1.56 -53.26 5 7 1 111 261.309 5

Activity (Go SEA)

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