UCSF

ZINC37814394

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 2.85 6.13 -39.67 3 3 1 48 283.358 8
Mid Mid (pH 6-8) 2.85 5.85 -6.18 2 3 0 46 282.35 8

Activity (Go SEA)

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