UCSF

ZINC00051515

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 No

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) 2.90 12.14 -19.01 3 5 0 72 289.342 2
Mid Mid (pH 6-8) 2.90 12.21 -28.64 3 5 1 70 290.35 2
Mid Mid (pH 6-8) 2.90 12.44 -29.06 4 5 1 74 290.35 2
Mid Mid (pH 6-8) 2.90 11.77 -13.46 2 5 0 69 289.342 2

Activity (Go SEA)

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