UCSF

ZINC03418183

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 31 No

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) 4.77 11.08 -55.38 3 6 1 80 436.919 8
Hi High (pH 8-9.5) 4.59 10.26 -43.95 2 6 0 86 435.911 8

Activity (Go SEA)

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