UCSF

ZINC09829447

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2007 32 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) 4.26 18 -14.41 0 7 0 66 427.508 6
Mid Mid (pH 6-8) 4.26 18.48 -38.97 1 7 1 67 428.516 6

Activity (Go SEA)

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