UCSF

ZINC37233398

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.36 7.76 -52.2 1 3 -1 52 262.235 4
Lo Low (pH 4.5-6) 3.36 5.78 -8.1 2 3 0 49 263.243 4

Activity (Go SEA)

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