UCSF

ZINC53230093

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2010 45 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) 6.24 13.29 -55.04 2 8 1 74 609.743 3
Hi High (pH 8-9.5) 6.24 12.71 -60.04 0 8 -1 76 607.727 3
Mid Mid (pH 6-8) 6.24 11.54 -12.73 1 8 0 73 608.735 3
Lo Low (pH 4.5-6) 6.24 17.2 -96.09 3 8 2 75 610.751 3

Activity (Go SEA)

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