UCSF

ZINC37980580

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 21 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) -0.29 0.55 -17.89 2 7 0 91 308.725 1
Hi High (pH 8-9.5) -0.10 -2.1 -49.41 1 7 -1 98 307.717 1

Activity (Go SEA)

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