UCSF

ZINC36857153

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 1.47 3.11 -8.05 1 5 0 49 344.253 5
Lo Low (pH 4.5-6) 1.47 5.4 -39.74 2 5 1 50 345.261 5

Activity (Go SEA)

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