UCSF

ZINC22835131

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 3.81 8.8 -86.12 1 8 -1 113 442.517 6
Hi High (pH 8-9.5) 3.81 8.86 -139.91 0 8 -2 115 441.509 6

Activity (Go SEA)

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