UCSF

ZINC20601461

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 27 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) 2.32 8.84 -47.38 1 5 1 39 370.517 8
Hi High (pH 8-9.5) 2.32 6.4 -8.61 0 5 0 38 369.509 8
Mid Mid (pH 6-8) 2.32 11.12 -130.63 2 5 2 40 371.525 8
Lo Low (pH 4.5-6) 2.32 8.87 -51.6 1 5 1 39 370.517 8
Lo Low (pH 4.5-6) 2.32 9.31 -94.22 2 5 2 40 371.525 8

Activity (Go SEA)

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