UCSF

ZINC19864775

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 25 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) 2.92 11.93 -37.12 1 4 1 42 337.443 6
Hi High (pH 8-9.5) 3.50 10.89 -44.14 1 4 0 48 336.435 6
Hi High (pH 8-9.5) 3.50 10.91 -44.16 1 4 0 48 336.435 6

Activity (Go SEA)

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