UCSF

ZINC51924945

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 14 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) 0.14 -1.99 -10.73 3 4 0 61 192.218 1
Mid Mid (pH 6-8) 0.14 -0.67 -51.9 4 4 1 66 193.226 1

Activity (Go SEA)

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