UCSF

ZINC53155857

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 15 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) 2.14 7.12 -51.26 2 3 0 57 227.691 5
Hi High (pH 8-9.5) 2.14 5.95 -43.57 1 3 -1 52 226.683 5

Activity (Go SEA)

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