UCSF

ZINC35804885

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 37 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) 4.09 12.35 -14.49 1 7 0 65 520.699 11
Mid Mid (pH 6-8) 4.09 14.7 -54.49 2 7 1 66 521.707 11

Activity (Go SEA)

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