UCSF

ZINC39853976

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 28 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) 4.59 8.87 -15.37 1 6 0 73 382.46 7
Hi High (pH 8-9.5) 4.59 10.01 -66.3 0 6 -1 76 381.452 7

Activity (Go SEA)

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