UCSF

ZINC37817521

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) -1.95 -0.51 -52.48 4 6 1 80 227.288 2
Hi High (pH 8-9.5) -1.95 -0.92 -18.19 3 6 0 79 226.28 2

Activity (Go SEA)

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