UCSF

ZINC36354806

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 27 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) 1.72 1.11 -14.54 2 8 0 97 391.449 4
Ref Reference (pH 7) 1.53 3.61 -13.56 2 8 0 93 391.449 4

Activity (Go SEA)

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