UCSF

ZINC41192093

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 17 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) 2.14 4.85 -32.78 2 3 1 39 253.391 3
Mid Mid (pH 6-8) 2.14 3.95 -6.01 1 3 0 34 252.383 3

Activity (Go SEA)

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