UCSF

ZINC35016714

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 22 No

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) 3.26 8.17 -10.58 2 4 0 50 350.387 6
Hi High (pH 8-9.5) 3.30 7.21 -36.29 1 4 -1 51 349.379 6
Hi High (pH 8-9.5) 2.55 6.23 -99.81 0 4 -2 57 348.371 5
Mid Mid (pH 6-8) 2.51 7.04 -31.8 1 4 -1 57 349.379 5

Activity (Go SEA)

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