UCSF

ZINC54313327

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2010 29 Yes

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) 3.48 8.3 -13.45 0 5 0 56 384.435 3
Lo Low (pH 4.5-6) 3.48 8.75 -46.22 1 5 1 57 385.443 3

Activity (Go SEA)

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