UCSF

ZINC08235478

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2006 19 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) 0.86 4.4 -78.76 4 5 0 97 270.373 6
Mid Mid (pH 6-8) 0.86 4.09 -56.59 3 5 -1 95 269.365 6

Activity (Go SEA)

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