UCSF

ZINC03413565

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 37 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) 2.46 10.1 -24.3 1 9 0 103 520.611 8
Hi High (pH 8-9.5) 2.46 10.58 -71.97 0 9 -1 105 519.603 8

Activity (Go SEA)

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