UCSF

ZINC37258977

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 14 No

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) 0.29 1.92 -5.61 1 5 0 72 196.206 2
Mid Mid (pH 6-8) 0.74 -0.72 -35.44 0 5 -1 75 195.198 2

Activity (Go SEA)

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