UCSF

ZINC22628525

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 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) 4.52 12.82 -14.6 0 4 0 38 407.48 5
Lo Low (pH 4.5-6) 4.52 13.23 -44.01 1 4 1 39 408.488 5

Activity (Go SEA)

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