UCSF

ZINC37180815

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 16 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) -0.42 3.4 -7.72 3 3 0 55 218.3 4
Mid Mid (pH 6-8) -0.42 3.72 -43.41 4 3 1 57 219.308 4

Activity (Go SEA)

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