UCSF

ZINC42205357

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 14 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) -0.63 -0.18 -39.03 3 5 1 55 204.294 8
Hi High (pH 8-9.5) -0.63 -1.29 -40.67 3 5 1 58 204.294 8
Hi High (pH 8-9.5) -0.63 -2.66 -7.6 2 5 0 54 203.286 8
Lo Low (pH 4.5-6) -0.63 1.18 -111.59 4 5 2 59 205.302 8

Activity (Go SEA)

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