UCSF

ZINC33556563

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 32 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) 5.12 12.64 -12.95 0 6 0 73 446.89 4
Lo Low (pH 4.5-6) 5.12 13.04 -33.03 1 6 1 74 447.898 4

Activity (Go SEA)

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