UCSF

ZINC38140084

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 38 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) 3.30 7.71 -62.64 0 9 -1 116 541.646 10
Lo Low (pH 4.5-6) 3.30 6.95 -18.7 1 9 0 113 542.654 10

Activity (Go SEA)

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