UCSF

ZINC59474975

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 23 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) 5.10 10.88 -6.93 1 3 0 53 304.393 4
Hi High (pH 8-9.5) 5.29 9.45 -40.75 0 3 -1 59 303.385 4

Activity (Go SEA)

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