UCSF

ZINC06296577

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 32 Yes

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) 0.42 3.59 -22.73 2 9 0 118 457.508 6
Mid Mid (pH 6-8) 1.79 -0.14 -48.78 1 9 -1 124 456.5 6
Mid Mid (pH 6-8) 1.72 3.42 -53.83 1 9 -1 121 456.5 6
Lo Low (pH 4.5-6) 0.49 2.25 -56.07 3 9 1 123 458.516 6

Activity (Go SEA)

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