UCSF

ZINC27325117

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 26 No

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) 2.80 7.89 -34.61 2 6 1 73 372.47 7
Mid Mid (pH 6-8) 2.80 7.53 -12.11 1 6 0 72 371.462 7

Activity (Go SEA)

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