UCSF

ZINC00339755

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 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) 1.12 1.36 -12.41 1 5 0 72 283.74 4
Mid Mid (pH 6-8) 1.12 0.96 -37.69 0 5 -1 74 282.732 4
Lo Low (pH 4.5-6) 1.12 1.43 -38.97 1 5 0 75 283.74 4
Lo Low (pH 4.5-6) 1.12 1.83 -44.75 2 5 1 73 284.748 4

Activity (Go SEA)

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