UCSF

ZINC40173951

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 22 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) 3.02 6.48 -47.21 5 4 1 73 406.247 4
Hi High (pH 8-9.5) 3.02 6.19 -10.97 4 4 0 71 405.239 4

Activity (Go SEA)

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