UCSF

ZINC19939704

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 27 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) 3.48 8.8 -11.27 0 5 0 40 365.477 8
Mid Mid (pH 6-8) 3.48 9.19 -32.96 1 5 1 41 366.485 8

Activity (Go SEA)

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