UCSF

ZINC34939457

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 11 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) 2.10 3.94 -43.32 2 2 1 40 153.249 1
Mid Mid (pH 6-8) 2.10 2.67 -5.97 1 2 0 36 152.241 1

Activity (Go SEA)

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