UCSF

ZINC45664237

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 1.58 3.83 -96.7 5 5 2 64 294.443 9
Hi High (pH 8-9.5) 1.58 3.43 -40.79 4 5 1 63 293.435 9
Mid Mid (pH 6-8) 1.58 4.27 -90.31 5 5 2 64 294.443 9
Lo Low (pH 4.5-6) 1.58 6.3 -173.43 6 5 3 66 295.451 9

Activity (Go SEA)

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