UCSF

ZINC13647358

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 25 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) 4.17 7.72 -43.85 0 5 -1 63 353.423 6
Ref Reference (pH 7) 4.66 8.3 -10.44 1 5 0 64 354.431 5

Activity (Go SEA)

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