UCSF

ZINC31909232

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.93 7.47 -53.51 0 5 -1 61 318.784 8
Mid Mid (pH 6-8) 2.93 7.88 -39.83 1 5 0 62 319.792 8
Mid Mid (pH 6-8) 2.93 9.7 -59.19 1 5 0 62 319.792 8
Lo Low (pH 4.5-6) 2.93 10.11 -77.38 2 5 1 63 320.8 8

Activity (Go SEA)

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