UCSF

ZINC28965202

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 24 No

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) 3.13 10.95 -84.85 1 4 0 49 322.408 2
Hi High (pH 8-9.5) 3.13 9.08 -57 0 4 -1 48 321.4 2

Activity (Go SEA)

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