UCSF

ZINC13787431

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 28 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) 5.55 7.4 -9.83 1 5 0 64 408.401 5
Ref Reference (pH 7) 5.55 7.82 -9.73 1 5 0 64 408.401 5
Ref Reference (pH 7) 5.06 7.2 -43.4 0 5 -1 63 407.393 6

Activity (Go SEA)

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