UCSF

ZINC44281741

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 43 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) 6.45 16.49 -51.07 0 13 -1 165 602.031 14
Lo Low (pH 4.5-6) 6.45 16.57 -17.87 1 13 0 167 603.039 14

Activity (Go SEA)

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