UCSF

ZINC44690668

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 2.28 8.05 -45.31 2 5 1 72 267.349 8
Hi High (pH 8-9.5) 2.28 7.11 -6.79 1 5 0 67 266.341 8

Activity (Go SEA)

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