UCSF

ZINC36980333

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 2.40 5.53 -36.19 2 4 1 46 257.398 7
Mid Mid (pH 6-8) 2.40 4.77 -3.02 1 4 0 42 256.39 7
Mid Mid (pH 6-8) 2.40 6.85 -32.06 2 4 1 43 257.398 7
Lo Low (pH 4.5-6) 2.40 7.85 -104.5 3 4 2 47 258.406 7

Activity (Go SEA)

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