UCSF

ZINC37280303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) 2.34 5.79 -41.3 3 4 1 59 278.42 6
Hi High (pH 8-9.5) 2.34 5.45 -9.36 2 4 0 54 277.412 6
Mid Mid (pH 6-8) 2.34 6.18 -91.9 4 4 2 60 279.428 6
Mid Mid (pH 6-8) 2.34 5.8 -31.93 3 4 1 55 278.42 6

Activity (Go SEA)

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