UCSF

ZINC24980283

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 27 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) 1.35 4.5 -83.52 4 6 1 94 360.441 5
Mid Mid (pH 6-8) 1.35 4.18 -32.94 3 6 0 93 359.433 5

Activity (Go SEA)

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