UCSF

ZINC22708464

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 36 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) 6.99 18.29 -46.13 3 5 1 64 473.6 3
Mid Mid (pH 6-8) 3.18 5.89 -20.56 5 8 0 123 440.544 11

Activity (Go SEA)

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