UCSF

ZINC59703343

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 26 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) 0.11 4.49 -60.27 1 9 -1 105 361.378 4
Lo Low (pH 4.5-6) 0.11 2.58 -21.78 2 9 0 102 362.386 4

Activity (Go SEA)

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