UCSF

ZINC37847400

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 2.36 3.76 -40.9 3 4 1 55 268.377 9
Hi High (pH 8-9.5) 2.36 2.53 -6.41 2 4 0 51 267.369 9

Activity (Go SEA)

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