UCSF

ZINC03428402

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 31 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) 3.11 -9.28 -21.34 4 8 0 135 459.549 6
Hi High (pH 8-9.5) 3.11 -8.71 -48.77 3 8 -1 137 458.541 6

Activity (Go SEA)

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