UCSF

ZINC21787032

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 31 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) 4.47 11.81 -17.97 0 6 0 57 421.541 9
Mid Mid (pH 6-8) 4.47 12.31 -34.4 1 6 1 58 422.549 9

Activity (Go SEA)

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