UCSF

ZINC34691579

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 30 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) 0.99 1.66 -10.82 1 7 0 65 423.529 8
Mid Mid (pH 6-8) 0.99 3.9 -56.91 2 7 1 67 424.537 8
Lo Low (pH 4.5-6) 0.99 6.03 -112.12 3 7 2 68 425.545 8

Activity (Go SEA)

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