UCSF

ZINC36983931

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 3.28 6.26 -55.98 1 5 -1 86 324.765 5
Hi High (pH 8-9.5) 3.28 6.33 -105.68 0 5 -2 88 323.757 5

Activity (Go SEA)

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