UCSF

ZINC37820911

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.01 -0.07 -51.14 6 6 1 103 271.385 5
Hi High (pH 8-9.5) 0.01 -0.4 -14.55 5 6 0 101 270.377 5

Activity (Go SEA)

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