UCSF

ZINC36396547

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 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) 3.00 7.51 -12.44 1 3 0 42 268.36 6
Lo Low (pH 4.5-6) 3.18 5.29 -32.52 2 3 1 47 269.368 6
Lo Low (pH 4.5-6) 3.00 7.86 -39.23 2 3 1 43 269.368 6

Activity (Go SEA)

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