UCSF

ZINC58347213

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 27 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) 3.19 6.92 -21.16 2 6 0 88 368.433 6
Hi High (pH 8-9.5) 3.65 6.27 -57.14 1 6 -1 91 367.425 6

Activity (Go SEA)

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