UCSF

ZINC21782758

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 30 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) 3.21 4.66 -13.89 3 7 0 99 407.47 7
Hi High (pH 8-9.5) 3.21 5.45 -49.33 2 7 -1 102 406.462 7

Activity (Go SEA)

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