UCSF

ZINC41679289

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 2.53 10.35 -85.3 1 5 0 62 275.352 6
Hi High (pH 8-9.5) 2.53 8.16 -53.74 0 5 -1 61 274.344 6
Lo Low (pH 4.5-6) 2.53 10.84 -116.45 2 5 1 64 276.36 6

Activity (Go SEA)

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