UCSF

ZINC19363964

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 21 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) 3.97 9.8 -36.37 1 2 1 8 305.511 4
Mid Mid (pH 6-8) 3.97 7.53 -2.79 0 2 0 6 304.503 4

Activity (Go SEA)

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