UCSF

ZINC31561775

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 39 No

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) -4.70 13.04 -77.28 3 8 2 95 517.589 6
Hi High (pH 8-9.5) -4.63 9.73 -74.98 1 8 0 108 515.573 6
Mid Mid (pH 6-8) -4.67 11.39 -67.74 2 8 1 101 516.581 6

Activity (Go SEA)

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