UCSF

ZINC44517776

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 19 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) 3.88 10.06 -94.57 3 2 2 21 282.497 6
Hi High (pH 8-9.5) 3.88 8.98 -32.14 2 2 1 16 281.489 6

Activity (Go SEA)

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