UCSF

ZINC37009178

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -0.07 4.44 -29.86 1 8 0 94 432.546 3
Hi High (pH 8-9.5) 1.23 3.02 -55.26 0 8 -1 97 431.538 3

Activity (Go SEA)

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