UCSF

ZINC13477727

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 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) 4.88 5.94 -47.97 0 5 -1 61 366.466 5
Ref Reference (pH 7) 4.69 8.15 -43.32 0 5 -1 57 366.466 6
Mid Mid (pH 6-8) 4.43 7.86 -7.55 1 5 0 58 367.474 5
Lo Low (pH 4.5-6) 4.69 8.8 -19.79 1 5 0 54 367.474 6

Activity (Go SEA)

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