UCSF

ZINC19427441

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 14 No

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) 0.20 -0.8 -8.59 3 5 0 71 201.27 3
Mid Mid (pH 6-8) 0.20 1.25 -41.72 4 5 1 72 202.278 3

Activity (Go SEA)

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