UCSF

ZINC33793474

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 26 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) 5.68 8.44 -41.73 1 7 -1 114 453.681 3
Ref Reference (pH 7) 5.19 8.65 -83.49 0 7 -2 113 452.673 4
Hi High (pH 8-9.5) 6.13 6.92 -92.43 0 7 -2 117 452.673 3
Mid Mid (pH 6-8) 5.68 7.43 -15.38 2 7 0 111 454.689 3
Mid Mid (pH 6-8) 5.19 7.65 -37.24 1 7 -1 110 453.681 4

Activity (Go SEA)

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