UCSF

ZINC37108385

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.16 9.6 -112.47 4 2 2 32 284.447 6
Hi High (pH 8-9.5) 2.16 7.67 -41.17 3 2 1 31 283.439 6
Hi High (pH 8-9.5) 2.16 8.11 -1.51 2 2 0 29 282.431 6
Mid Mid (pH 6-8) 2.16 9.22 -30.3 3 2 1 30 283.439 6

Activity (Go SEA)

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