UCSF

ZINC37322111

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 3.45 7.47 -36.53 2 2 1 20 263.449 2
Lo Low (pH 4.5-6) 3.45 9.96 -106.47 3 2 2 21 264.457 2

Activity (Go SEA)

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