UCSF

ZINC38134776

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 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) 2.66 7.11 -39.95 2 3 1 39 257.357 6
Hi High (pH 8-9.5) 2.66 6.16 -6.19 1 3 0 34 256.349 6
Lo Low (pH 4.5-6) 2.66 7.61 -103.99 3 3 2 40 258.365 6

Activity (Go SEA)

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