UCSF

ZINC36778708

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 3.48 7.34 -5 1 2 0 25 247.313 5
Mid Mid (pH 6-8) 3.48 8.56 -43.09 2 2 1 30 248.321 5

Activity (Go SEA)

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