UCSF

ZINC33814114

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 32 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) 2.00 8.65 -65.13 2 8 0 102 434.496 7
Lo Low (pH 4.5-6) 2.00 7.52 -55.42 3 8 1 100 435.504 7

Activity (Go SEA)

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