UCSF

ZINC40906129

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 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) 2.44 3.9 -38.43 3 5 1 72 268.333 7
Hi High (pH 8-9.5) 2.44 2.68 -10.99 2 5 0 68 267.325 7

Activity (Go SEA)

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