UCSF

ZINC09377639

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 30 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) 2.62 -7.65 -21.19 4 8 0 131 444.538 7
Hi High (pH 8-9.5) 2.62 -7.08 -54.24 3 8 -1 133 443.53 7

Activity (Go SEA)

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