UCSF

ZINC29562672

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 36 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) 5.30 17.19 -58.18 2 6 1 53 489.615 9
Hi High (pH 8-9.5) 5.30 14.94 -15.59 1 6 0 52 488.607 9

Activity (Go SEA)

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