UCSF

ZINC06719252

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2006 21 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) 1.67 6.32 -12.85 0 5 0 61 282.299 4
Lo Low (pH 4.5-6) 1.67 6.6 -49.53 1 5 1 62 283.307 4

Activity (Go SEA)

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