UCSF

ZINC09274348

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 31 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) 3.13 8.96 -60.4 0 8 -1 113 437.453 6
Lo Low (pH 4.5-6) 3.13 8.21 -17.6 1 8 0 110 438.461 6

Activity (Go SEA)

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