UCSF

ZINC37072489

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 4.21 10.06 -93.08 3 2 2 21 296.524 6
Hi High (pH 8-9.5) 4.21 9.23 -33.61 2 2 1 16 295.516 6

Activity (Go SEA)

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