UCSF

ZINC21816818

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 2.89 4.28 -69.92 2 6 -1 99 306.319 4
Hi High (pH 8-9.5) 2.89 5.22 -126.48 1 6 -2 102 305.311 4

Activity (Go SEA)

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