UCSF

ZINC37000185

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 3.86 8.68 -4.89 1 2 0 21 346.268 4
Mid Mid (pH 6-8) 3.86 9.34 -43.43 2 2 1 26 347.276 4

Activity (Go SEA)

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