UCSF

ZINC25783183

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 37 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) -0.68 -0.11 -34.8 5 16 0 211 514.503 10
Mid Mid (pH 6-8) -0.68 2.22 -64.64 6 16 1 212 515.511 10

Activity (Go SEA)

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