UCSF

ZINC37053971

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.53 3.61 -50.42 3 5 1 68 284.405 3
Hi High (pH 8-9.5) 0.53 1.5 -10.52 2 5 0 67 283.397 3

Activity (Go SEA)

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