UCSF

ZINC42776256

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 No

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) 1.81 2.05 -12.7 2 4 0 61 289.253 6
Hi High (pH 8-9.5) 1.81 2.98 -46.25 1 4 -1 64 288.245 6
Lo Low (pH 4.5-6) 1.81 3.94 -45.67 3 4 1 62 290.261 6

Activity (Go SEA)

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