UCSF

ZINC08836249

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 30 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) 4.68 11.7 -58.49 0 5 -1 73 437.928 4
Lo Low (pH 4.5-6) 4.68 10.88 -14.81 1 5 0 71 438.936 4

Activity (Go SEA)

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