UCSF

ZINC40395684

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) 0.01 4.47 -28.13 5 13 0 191 469.458 11
Hi High (pH 8-9.5) 0.47 2.33 -59.21 4 13 -1 194 468.45 11

Activity (Go SEA)

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