UCSF

ZINC09380226

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 32 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) 4.62 11.89 -43.99 0 5 -1 70 428.439 5
Ref Reference (pH 7) 4.62 11.62 -47.51 0 5 -1 70 428.439 6
Mid Mid (pH 6-8) 4.04 1.8 -10.79 0 5 0 63 429.447 6
Lo Low (pH 4.5-6) 4.62 10.87 -10.42 1 5 0 67 429.447 6

Activity (Go SEA)

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