UCSF

ZINC28048252

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 30 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) 5.15 13.32 -18.12 0 5 0 51 401.51 7
Mid Mid (pH 6-8) 5.15 13.72 -29.93 1 5 1 53 402.518 7

Activity (Go SEA)

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