UCSF

ZINC19883596

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 17 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) 3.62 7.28 -36.41 2 2 1 29 247.387 3
Hi High (pH 8-9.5) 3.62 6.14 -6.25 1 2 0 25 246.379 3

Activity (Go SEA)

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