UCSF

ZINC44648666

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) 0.56 1.87 -53.21 5 6 1 98 266.321 8
Hi High (pH 8-9.5) 0.56 0.53 -21.75 4 6 0 93 265.313 8

Activity (Go SEA)

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