UCSF

ZINC02149817

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 32 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) 3.01 8.11 -22.07 2 8 0 93 438.528 5
Hi High (pH 8-9.5) 2.27 3.92 -24.99 2 8 0 100 438.528 6

Activity (Go SEA)

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