UCSF

ZINC66066386

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 26 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) 1.62 -0.19 -9.25 4 7 0 124 384.812 0
Hi High (pH 8-9.5) 1.62 0.76 -42.08 3 7 -1 127 383.804 0
Hi High (pH 8-9.5) 1.62 0.58 -41.76 3 7 -1 127 383.804 0

Activity (Go SEA)

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