UCSF

ZINC36981025

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.99 6.19 -40.67 3 4 1 63 321.224 7
Hi High (pH 8-9.5) 3.99 5.68 -42.44 1 4 -1 61 319.208 7
Mid Mid (pH 6-8) 3.99 5.1 -6.89 2 4 0 59 320.216 7
Mid Mid (pH 6-8) 3.99 6.99 -30.13 2 4 0 66 320.216 7

Activity (Go SEA)

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