UCSF

ZINC02918381

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 23 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) 4.83 13.79 -12.84 0 4 0 43 434.668 2
Mid Mid (pH 6-8) 4.84 14.71 -47.6 2 4 1 47 435.676 2

Activity (Go SEA)

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