UCSF

ZINC25534096

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 28 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) 4.18 9.39 -40.15 2 5 1 52 397.417 9
Hi High (pH 8-9.5) 4.18 7.14 -11.17 1 5 0 51 396.409 9

Activity (Go SEA)

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