UCSF

ZINC12536177

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 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) 3.54 9.14 -24.18 1 6 0 76 438.549 9
Hi High (pH 8-9.5) 3.54 9.2 -55.66 0 6 -1 78 437.541 9

Activity (Go SEA)

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