UCSF

ZINC53156212

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 16 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) 2.26 7.17 -55.8 2 3 0 57 245.681 5
Hi High (pH 8-9.5) 2.26 6 -43.33 1 3 -1 52 244.673 5

Activity (Go SEA)

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