UCSF

ZINC45370438

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 29 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) 0.04 9.33 -68.09 4 7 0 117 403.523 8
Hi High (pH 8-9.5) 0.04 9.05 -64.7 3 7 -1 116 402.515 8

Activity (Go SEA)

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