UCSF

ZINC31960131

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 0.70 3.34 -50.69 2 6 -1 94 250.278 6
Mid Mid (pH 6-8) 0.70 3.78 -66.86 3 6 0 95 251.286 6
Lo Low (pH 4.5-6) 0.70 2.66 -40.98 4 6 1 93 252.294 6

Activity (Go SEA)

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