UCSF

ZINC36366607

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 23 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) 2.54 4.71 -9.28 1 5 0 67 305.337 1
Ref Reference (pH 7) 2.35 8.23 -13.03 1 5 0 64 305.337 1

Activity (Go SEA)

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