UCSF

ZINC21175872

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 21 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) 4.26 10.98 -34.17 1 3 1 22 286.443 4
Hi High (pH 8-9.5) 4.26 8.74 -7.62 0 3 0 21 285.435 4

Activity (Go SEA)

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