UCSF

ZINC19633758

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 17 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) 3.41 7.17 -27.56 1 2 1 8 276.231 6
Hi High (pH 8-9.5) 3.41 5.12 -2.58 0 2 0 6 275.223 6
Mid Mid (pH 6-8) 3.41 7.42 -34.21 1 2 1 8 276.231 6
Lo Low (pH 4.5-6) 3.41 9.62 -98.09 2 2 2 9 277.239 6

Activity (Go SEA)

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