UCSF

ZINC35304817

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 18 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) -0.62 4.98 -50.15 1 6 0 79 267.31 4
Hi High (pH 8-9.5) -0.62 5.09 -51.71 0 6 -1 78 266.302 4

Activity (Go SEA)

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