UCSF

ZINC36328259

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 2.42 4.76 -119.83 4 3 2 35 281.488 3
Hi High (pH 8-9.5) 2.42 4.89 -35.94 3 3 1 34 280.48 3
Hi High (pH 8-9.5) 2.42 5.12 -102.59 4 3 2 35 281.488 3
Mid Mid (pH 6-8) 2.42 2.73 -43.65 3 3 1 34 280.48 3
Lo Low (pH 4.5-6) 2.42 7.11 -212.54 5 3 3 37 282.496 3

Activity (Go SEA)

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