UCSF

ZINC26833135

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 16 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) 3.15 6.06 -54.74 0 3 -1 53 228.252 1
Lo Low (pH 4.5-6) 3.15 6.5 -32.96 1 3 0 54 229.26 1

Activity (Go SEA)

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