UCSF

ZINC00027182

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 2.32 0 -12.42 1 4 0 50 279.343 3
Mid Mid (pH 6-8) 2.32 0.14 -33.39 2 4 1 52 280.351 3
Lo Low (pH 4.5-6) 2.32 0.22 -84.33 3 4 2 53 281.359 3
Lo Low (pH 4.5-6) 2.32 0.07 -28.43 2 4 1 52 280.351 3

Activity (Go SEA)

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