UCSF

ZINC25531448

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 26 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) 2.58 8.48 -51.24 2 5 1 52 363.384 6
Hi High (pH 8-9.5) 2.58 6.04 -13.3 1 5 0 51 362.376 6

Activity (Go SEA)

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