UCSF

ZINC00027005

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 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) 3.86 1.42 -11.87 0 3 0 30 285.35 2
Mid Mid (pH 6-8) 3.86 1.66 -33.61 1 3 1 31 286.358 2
Lo Low (pH 4.5-6) 3.86 1.77 -77.32 2 3 2 32 287.366 2
Lo Low (pH 4.5-6) 3.86 1.53 -41.6 1 3 1 31 286.358 2

Activity (Go SEA)

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