UCSF

ZINC33359166

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2009 15 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) 0.62 -0.26 -11.81 2 5 0 67 205.217 1
Hi High (pH 8-9.5) 0.62 0.49 -53.8 1 5 -1 70 204.209 1

Activity (Go SEA)

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