UCSF

ZINC35281544

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 4.27 10.23 -54.81 0 6 -1 79 440.491 11
Lo Low (pH 4.5-6) 4.27 9.48 -12.12 1 6 0 76 441.499 11

Activity (Go SEA)

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