UCSF

ZINC37853549

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 14 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) 2.43 5.75 -5.91 1 2 0 36 188.274 4
Mid Mid (pH 6-8) 2.43 6.99 -51.83 2 2 1 40 189.282 4

Activity (Go SEA)

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