UCSF

ZINC45629169

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 3.99 8.13 -39.92 2 2 1 20 263.449 5
Hi High (pH 8-9.5) 3.99 9.21 -32.87 2 2 1 16 263.449 5
Lo Low (pH 4.5-6) 3.99 10.39 -108.47 3 2 2 21 264.457 5

Activity (Go SEA)

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