UCSF

ZINC36682344

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 21 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) 2.94 5.51 -44.12 4 4 1 66 293.431 8
Hi High (pH 8-9.5) 2.94 5.07 -11.85 3 4 0 64 292.423 8

Activity (Go SEA)

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