UCSF

ZINC34960439

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) -0.11 2.76 -43.84 3 3 1 44 206.313 6
Hi High (pH 8-9.5) -0.11 4.46 -37.33 3 3 1 43 206.313 6

Activity (Go SEA)

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