UCSF

ZINC29544456

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 35 No

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) 5.06 12.04 -62.93 1 8 -1 122 483.537 13
Hi High (pH 8-9.5) 5.06 12.67 -99.25 0 8 -2 125 482.529 13

Activity (Go SEA)

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