UCSF

ZINC36617168

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 29 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) 5.47 10.44 -12.52 1 6 0 81 504.324 7
Ref Reference (pH 7) 5.47 10.82 -14.08 1 6 0 81 504.324 7
Hi High (pH 8-9.5) 5.48 11.59 -39.99 0 6 -1 84 503.316 7
Hi High (pH 8-9.5) 5.47 11.21 -37.81 0 6 -1 84 503.316 7

Activity (Go SEA)

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