UCSF

ZINC58015481

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2011 21 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) 2.98 7.18 -37.95 2 4 1 33 305.471 5
Hi High (pH 8-9.5) 2.98 4.91 -6.09 1 4 0 31 304.463 5

Activity (Go SEA)

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