UCSF

ZINC06625882

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 12 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) 1.32 3.86 -39.04 2 2 1 29 163.244 1
Hi High (pH 8-9.5) 1.32 2.75 -3.76 1 2 0 25 162.236 1
Lo Low (pH 4.5-6) 1.32 4.44 -95.5 3 2 2 31 164.252 1

Activity (Go SEA)

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