UCSF

ZINC37822360

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) -1.49 1.75 -58.85 3 5 1 68 254.335 2
Hi High (pH 8-9.5) -1.49 1.35 -15.6 2 5 0 67 253.327 2

Activity (Go SEA)

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