UCSF

ZINC34602297

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 33 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) 5.30 10.43 -70.09 1 7 0 78 499.427 4
Mid Mid (pH 6-8) 5.30 8.03 -48.82 0 7 -1 76 498.419 4

Activity (Go SEA)

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