UCSF

ZINC37140578

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 0.48 4.4 -186.98 6 5 3 69 285.456 4
Hi High (pH 8-9.5) 0.48 1.37 -39.6 4 5 1 63 283.44 4
Mid Mid (pH 6-8) 0.48 3.57 -83.48 5 5 2 64 284.448 4
Lo Low (pH 4.5-6) 0.48 2.21 -105.51 5 5 2 67 284.448 4

Activity (Go SEA)

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