UCSF

ZINC37412713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 15 No

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) 3.69 8.03 -7.05 0 2 0 18 243.137 3
Lo Low (pH 4.5-6) 3.69 8.47 -28.75 1 2 1 19 244.145 3

Activity (Go SEA)

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