UCSF

ZINC04382645

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 6.97 13.93 -8.85 1 3 0 29 361.533 4
Mid Mid (pH 6-8) 6.97 14.37 -23.71 2 3 1 31 362.541 4

Activity (Go SEA)

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