UCSF

ZINC37072630

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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 8.52 -30.88 2 1 1 17 238.42 5
Hi High (pH 8-9.5) 3.86 7.56 -1.79 1 1 0 12 237.412 5

Activity (Go SEA)

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