UCSF

ZINC45688272

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 3.53 9.18 -98.21 3 3 2 24 293.499 10
Hi High (pH 8-9.5) 3.53 7.47 -32 2 3 1 20 292.491 10
Hi High (pH 8-9.5) 3.53 6.71 -40.35 2 3 1 23 292.491 10
Hi High (pH 8-9.5) 3.53 7.6 -33.79 2 3 1 20 292.491 10
Lo Low (pH 4.5-6) 3.53 11.12 -215.66 4 3 3 25 294.507 10

Activity (Go SEA)

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