UCSF

ZINC21797934

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 3.28 5.44 -46.08 2 4 1 42 354.268 5
Hi High (pH 8-9.5) 3.28 4.16 -5.15 1 4 0 38 353.26 5
Lo Low (pH 4.5-6) 3.28 7.79 -127.36 3 4 2 43 355.276 5

Activity (Go SEA)

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