UCSF

ZINC00290028

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 26 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) 3.10 -1.36 -18.26 0 6 0 61 340.39 2
Mid Mid (pH 6-8) -3.03 -0.93 -85.52 2 6 2 65 342.406 2
Mid Mid (pH 6-8) -0.64 -1.14 -41.52 1 6 1 63 341.398 2
Lo Low (pH 4.5-6) -3.03 -0.83 -163.46 3 6 3 66 343.414 2

Activity (Go SEA)

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