UCSF

ZINC25153198

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 34 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) 8.04 17.24 -12.79 1 4 0 47 445.566 8
Lo Low (pH 4.5-6) 8.04 17.56 -30.9 2 4 1 48 446.574 8

Activity (Go SEA)

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