UCSF

ZINC14291085

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2008 14 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) 1.10 7.06 -15.84 0 3 0 37 197.278 2
Hi High (pH 8-9.5) 1.12 5.98 -51.73 0 3 -1 43 196.27 2

Activity (Go SEA)

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