UCSF

ZINC38204982

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 23 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) 5.43 7.71 -8.49 1 4 0 54 389.274 3
Ref Reference (pH 7) 4.95 7.52 -45.33 0 4 -1 53 388.266 4
Hi High (pH 8-9.5) 5.89 6.35 -49.99 0 4 -1 58 388.266 3
Hi High (pH 8-9.5) 5.89 5.68 -51.24 0 4 -1 58 388.266 3

Activity (Go SEA)

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