UCSF

ZINC44659462

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 15 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) 0.43 6.91 -12.06 1 4 0 43 227.333 6
Mid Mid (pH 6-8) 1.15 7.04 -47.31 0 4 -1 40 226.325 6

Activity (Go SEA)

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