UCSF

ZINC37270248

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 13 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) -1.40 2.68 -99.59 4 4 2 52 189.303 6
Hi High (pH 8-9.5) -1.40 0.4 -48.37 3 4 1 51 188.295 6

Activity (Go SEA)

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