UCSF

ZINC37044793

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) -0.13 0.72 -80.01 4 7 0 110 246.274 5
Lo Low (pH 4.5-6) -0.13 0.8 -55.14 5 7 1 111 247.282 5

Activity (Go SEA)

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