UCSF

ZINC08915345

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 28 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) 4.33 5.24 -10.29 3 5 0 78 433.213 4
Hi High (pH 8-9.5) 3.96 2.93 -47.37 2 5 -1 85 432.205 4
Hi High (pH 8-9.5) 3.96 4.47 -34.08 3 5 0 86 433.213 4
Mid Mid (pH 6-8) 3.96 3.77 -46.43 4 5 1 84 434.221 4
Lo Low (pH 4.5-6) 3.96 2.36 -41.28 4 5 1 84 434.221 4

Activity (Go SEA)

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