UCSF

ZINC35500634

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 14 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) 1.27 2.54 -52.06 3 4 1 63 193.226 2
Hi High (pH 8-9.5) 1.73 -0.08 -75.09 2 4 0 66 192.218 2
Hi High (pH 8-9.5) 1.73 -1.26 -45.49 1 4 -1 61 191.21 2
Hi High (pH 8-9.5) 1.27 1.36 -7.36 2 4 0 58 192.218 2

Activity (Go SEA)

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