UCSF

ZINC04251215

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 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) 4.15 10.19 -14.86 1 5 0 59 378.432 5
Mid Mid (pH 6-8) 4.15 10.62 -36.95 2 5 1 61 379.44 5

Activity (Go SEA)

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