UCSF

ZINC36770962

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 0.18 3.26 -129.51 4 4 2 48 276.428 4
Hi High (pH 8-9.5) 0.18 2.88 -38.6 3 4 1 47 275.42 4
Hi High (pH 8-9.5) 0.18 3.71 -106.78 4 4 2 48 276.428 4
Mid Mid (pH 6-8) 0.18 1.34 -47.43 3 4 1 47 275.42 4
Lo Low (pH 4.5-6) 0.18 4.18 -174.12 5 4 3 49 277.436 4

Activity (Go SEA)

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