UCSF

ZINC49573601

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 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) 4.30 12.16 -30.44 1 6 0 76 465.582 5
Hi High (pH 8-9.5) 4.76 10.93 -58.89 0 6 -1 80 464.574 5

Activity (Go SEA)

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