UCSF

ZINC42357704

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 3.18 5.74 -14.23 1 4 0 55 292.747 3
Mid Mid (pH 6-8) 3.64 3.37 -49.27 0 4 -1 58 291.739 3

Activity (Go SEA)

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