UCSF

ZINC13583212

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 26 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) 5.97 7.86 -7.29 1 5 0 64 409.294 4
Ref Reference (pH 7) 5.48 7.33 -39.35 0 5 -1 63 408.286 5

Activity (Go SEA)

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