UCSF

ZINC22763033

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 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) -0.01 0.22 -45.8 3 4 1 57 210.301 3
Hi High (pH 8-9.5) -0.01 2.25 -39.98 3 4 1 56 210.301 3
Lo Low (pH 4.5-6) -0.01 2.65 -117.23 4 4 2 58 211.309 3

Activity (Go SEA)

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