UCSF

ZINC37498036

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 17 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) 0.32 3.74 -11.8 0 4 0 36 253.733 3
Mid Mid (pH 6-8) 0.32 5.95 -53.75 1 4 1 38 254.741 3

Activity (Go SEA)

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