UCSF

ZINC37796893

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 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) -0.38 2.25 -83.57 4 5 0 97 214.265 4
Hi High (pH 8-9.5) -0.38 1.86 -58.14 3 5 -1 95 213.257 4
Lo Low (pH 4.5-6) -0.38 0.27 -51.84 5 5 1 94 215.273 4

Activity (Go SEA)

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