UCSF

ZINC00203101

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) 5.66 1.77 -10.63 0 3 0 27 342.442 5
Mid Mid (pH 6-8) 2.25 1.93 -29.17 1 3 1 28 343.45 5

Activity (Go SEA)

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