UCSF

ZINC35588311

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 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) 5.37 11.85 -16.33 1 5 0 68 428.513 7
Hi High (pH 8-9.5) 5.56 10.59 -49.84 0 5 -1 75 427.505 7

Activity (Go SEA)

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