UCSF

ZINC53045084

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 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) 1.71 0.88 -4.18 4 3 0 58 206.289 3
Lo Low (pH 4.5-6) 1.71 0.74 -41.29 5 3 1 60 207.297 3
Lo Low (pH 4.5-6) 1.71 1.42 -28.44 5 3 1 63 207.297 3

Activity (Go SEA)

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