UCSF

ZINC22860567

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 25 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) 2.93 6.37 -51.65 3 5 1 66 361.535 3
Hi High (pH 8-9.5) 2.93 4.96 -11.24 2 5 0 61 360.527 3

Activity (Go SEA)

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